SCHEMBL10860985

SCHEMBL10860985

CNC(=O)C1CNC(C(=O)c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.46
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNA7 P36544 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
FAP Q12884 1/20 0.36
CTSC P53634 1/20 0.35
ABCB1 P08183 1/20 0.35
CPB1 P15086 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
SCHEMBL10621528 0.85 DPP4 (0.49) DPP4ALDH1A1CYP1A2CYP2D6ALOX15
SCHEMBL10860557 0.85 DPP4 (0.46) DPP4ALDH1A1CHRNB2CHRNA4CHRNA7
SCHEMBL10860091 0.83 DPP4 (0.44) DPP4SMN1; SMN2
SCHEMBL10860742 0.83 CYP1A2 (0.58) DPP4CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL10857598 0.82 DPP4 (0.52) DPP4CHRNB2CHRNA4CHRNA7CYP2C19
SCHEMBL10766797 0.82 ALDH1A1 (0.41) DPP4ALDH1A1CHRNB2CHRNA4CHRNA7
SCHEMBL10859204 0.81 DPP4 (0.53) DPP4ALDH1A1SMN1; SMN2
SCHEMBL11022918 0.79 DPP4 (0.50) DPP4CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL10618736 0.79 DPP4 (0.46) DPP4ALDH1A1CYP1A2CYP2D6ALOX15
SCHEMBL29666186 0.77 CYP2D6 (0.64) DPP4CHRNB2CHRNA4CHRNA7CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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