SCHEMBL8094832

SCHEMBL8094832

CC1C=CC2CNCC2C1NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.47
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
CPB1 P15086 2/20 0.44
NAAA Q02083 1/20 0.43
TSHR P16473 1/20 0.43
PREP P48147 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL19015180 0.84 ALDH1A1 (0.56) HTR2CALDH1A1GAACPB1NAAA
SCHEMBL15748998 0.84 ALDH1A1 (0.56) HTR2CALDH1A1GAACPB1NAAA
SCHEMBL17438422 0.84 ALDH1A1 (0.56) HTR2CALDH1A1GAACPB1NAAA
SCHEMBL17438421 0.84 ALDH1A1 (0.56) HTR2CALDH1A1GAACPB1NAAA
Hydrochloric Acid SCHEMBL29890850 0.83 ALDH1A1 (0.55) HTR2CALDH1A1GAACPB1NAAA
Hydrochloric Acid SCHEMBL29891152 0.83 ALDH1A1 (0.55) HTR2CALDH1A1GAACPB1NAAA
SCHEMBL8097577 0.79 CPB1 (0.47) HTR2CALDH1A1GAACPB1NAAA
SCHEMBL30221997 0.76 ALDH1A1 (0.56) ALDH1A1GAACPB1TSHRLMNA
SCHEMBL30260013 0.75 ALDH1A1 (0.56) HTR2CALDH1A1GAACPB1NAAA
SCHEMBL23971447 0.75 HTR2C (0.50) HTR2CALDH1A1GAACPB1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588166-A2 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1994-03-23 EP claimed
EP-0770083-B1 PYRIDO[3,2,1-i,j][3,1]BENZOXAZINE DERIVATIVES BAYER AG (DE) 2000-08-30 EP disclosed
EP-0682030-B1 8-Amino-10(azabicycloalkyl)-pyrido[1,2,3-d,e] [1,3,4] benzoxadiazine derivatives, process for their preparation and antibacterial agents containing them BAYER AG (DE) 2000-07-05 EP disclosed
US-6018054-A INTERMEDIATE COMPOUNDS FOR PREPARING NOVEL QUINOLONE AND NAPHTHYRIDONE DERIVATIVES WHICH ARE SUBSTITUTED IN THE 7-POSITION BY A PARTIALLY HYDROGENATED ISOINDOLINYL RING, USE AS ANTIBACTERIAL AGENTS AND AS FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-01-25 US disclosed
EP-0647644-B1 Antibacterial pyrido 1,2,3-d,e 1,3,4 benzoxacin derivatives BAYER AG (DE) 1997-11-05 EP disclosed
US-5618815-A ANTIBACTERIAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-04-08 US disclosed
US-5556979-A ANIMAL FEEDS BAYER AKTIENGESELLSCHAFT (DE) 1996-09-17 US disclosed
EP-0588166-B1 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1996-06-05 EP disclosed
US-5508278-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed
EP-0684244-A1 1,9-bridged thiazolo(3,2-a)quinoline derivatives BAYER AG (DE) 1995-11-29 EP disclosed
EP-0682030-A1 8-Amino-10(azabicycloalkyl)-pyrido[1,2,3-d,e] [1,3,4] benzoxadiazine derivatives, process for their preparation and antibacterial agents containing them BAYER AG (DE) 1995-11-15 EP disclosed
EP-0647644-A1 Antibacterial pyrido 1,2,3-d,e 1,3,4 benzoxacin derivatives BAYER AG (DE) 1995-04-12 EP disclosed
EP-0588166-A2 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1994-03-23 EP disclosed