SCHEMBL9687693

SCHEMBL9687693

O=C(NCCO)C1CC(=O)N(Cc2ccccc2)C1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.62
OPRM1 P35372 1/20 0.62
OPRD1 P41143 1/20 0.62
ALDH1A1 P00352 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
KMT2A Q03164 2/20 0.61
LMNA P02545 2/20 0.60
NPC1 O15118 1/20 0.60
GLA P06280 1/20 0.60
MAPT P10636 1/20 0.60
RAB9A P51151 1/20 0.60
TP53 P04637 1/20 0.58
POLB P06746 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
HTT P42858 1/20 0.57
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL9437306 0.89 OPRM1 (0.64) P2RX7OPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL9437343 0.86 ALDH1A1 (0.67) P2RX7OPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL10368339 0.85 P2RX7 (0.48) P2RX7OPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL9688612 0.84 P2RX7 (0.66) P2RX7OPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL9437349 0.83 ALDH1A1 (0.70) P2RX7OPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL14966487 0.83 ALDH1A1 (0.66) P2RX7OPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL30157775 0.81 P2RX7 (0.82) P2RX7OPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL15042057 0.81 KMT2A (0.59) ALDH1A1KMT2ALMNANPC1TP53
SCHEMBL1902358 0.81 SMN1; SMN2 (0.76) ALDH1A1SMN1; SMN2KMT2ALMNANPC1
SCHEMBL9437346 0.81 HPGD (0.70) P2RX7OPRM1OPRD1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4822801-A 4-oxo-1,4-dihydroquinoline-3-carboxylic acid derivative as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-04-18 US disclosed
EP-0174077-B1 -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) 1989-01-11 EP disclosed
US-4777175-A (NAPHTHYRIDINE, QUINOLINE) CARBOXYLIC ACID WARNER-LAMBERT COMPANY (US) 1988-10-11 US disclosed
US-4771054-A QUINOLINE CARBOXYLIC ACID WARNER-LAMBERT COMPANY (US) 1988-09-13 US disclosed
EP-0265230-A1 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) 1988-04-27 EP disclosed
US-4665079-A QUINOLINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1987-05-12 US disclosed
US-4638067-A NAPHTHYRIDINE AND QUINOLINE CARBOXYLIC ACIDS WARNER-LAMBERT CO. (US) 1987-01-20 US disclosed
US-4604401-A QUINOLINE-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 1986-08-05 US 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
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