SCHEMBL6968840

SCHEMBL6968840

CCCNCC1CCNC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 4/20 0.56
GNAO1 P09471 4/20 0.56
GNAI1 P63096 4/20 0.56
SLC6A1 P30531 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRB2 P47870 2/20 0.47
SLC6A12 P48065 2/20 0.47
SLC6A11 P48066 2/20 0.47
SLC6A13 Q9NSD5 2/20 0.47
GABRA1 P14867 1/20 0.47
GABRR1 P24046 1/20 0.47
GABRA4 P48169 1/20 0.47
KCNH2 Q12809 1/20 0.39
SAT1 P21673 1/20 0.38
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
ANPEP P15144 1/20 0.34
ERAP2 Q6P179 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25582070 1.00 GNAI3 (0.56) GNAI3GNAO1GNAI1SLC6A1GABRA5
SCHEMBL19018618 0.89 GNAI3 (0.45) GNAI3GNAO1GNAI1SLC6A1GABRA5
SCHEMBL13772115 0.88 GNAO1 (0.70) GNAI3GNAO1GNAI1SLC6A1GABRA5
SCHEMBL8135765 0.87 GNAO1 (0.75) GNAI3GNAO1GNAI1SLC6A1GABRA5
SCHEMBL23134315 0.83
SCHEMBL10683878 0.83
SCHEMBL2266332 0.83
SCHEMBL6856101 0.83
SCHEMBL9687891 0.82 SLC6A1 (0.48) GNAI3GNAO1GNAI1SLC6A1GABRA5
Hydrochloric Acid SCHEMBL9437325 0.82 GNAI3 (0.49) GNAI3GNAO1GNAI1SLC6A1GABRA5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115707-B1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2003-11-12 EP claimed
JP-2002539187-A 2002-11-19 JP claimed
EP-1163212-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP claimed
WO-2000055120-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 WO claimed
EP-2978752-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE DERIVATIVES AND THEIR USE AS PHD INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2016-02-03 EP disclosed
WO-2014160810-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE DERIVATIVES AND THEIR USE AS PHD INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-02 WO disclosed
EP-1163212-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP disclosed
WO-2000055120-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 WO disclosed
US-5281612-A Naphthyridine antibacterial agents WARNER-LAMBERT COMPANY (US) 1994-01-25 US disclosed
US-5097032-A Quinoline- and naphthyridine carboxylic acids, salts WARNER-LAMBERT COMPANY (US) 1992-03-17 US disclosed
EP-0265230-B1 SUBSTITUTED-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACIDS, DERIVATIVES THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS, AND PROCESSES FOR PRODUCING THE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1992-01-08 EP disclosed
EP-0172651-B1 Substituted-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acids; substituted-5-amino-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids; substituted-5-amino-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids; derivatives thereof; pharmaceutical compositions comprising the compounds; and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1990-02-07 EP disclosed
EP-0183129-A1 Quinolonecarboxylic acid derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1986-06-04 EP disclosed
EP-0174077-A1 -9-fluoro-6,7-dihydro-5-methyl-1-oxo-8-substituted-1H,5H, benzo(ij)-quinoziline-2-carboxylic acids; their derivatives; and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1986-03-12 EP disclosed
EP-0172651-A1 Substituted-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acids; substituted-5-amino-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids; substituted-5-amino-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids; derivatives thereof; pharmaceutical compositions comprising the compounds; and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1986-02-26 EP disclosed
EP-0169710-A2 7-Substituted-6-fluoro-8-substituted-1,4-dihydro-1-methylamino-4-oxo-3-quinolinecarboxylic acids; 7-substituted-6-fluoro-1,4-dihydro-1-methylamino-4-oxo-3-naphthyridine carboxylic acids; derivatives thereof; and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1986-01-29 EP disclosed
US-4550103-A Antibacterial 1-oxo-benzoquinolizine-2-carboxylic acids WARNER-LAMBERT COMPANY (US) 1985-10-29 US disclosed
US-4550104-A Antibacterial thiazolo-quinolines and thiazolo-naphthyridines WARNER-LAMBERT COMPANY (US) 1985-10-29 US disclosed
EP-0153163-A2 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1985-08-28 EP disclosed
EP-0106489-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1984-04-25 EP disclosed