SCHEMBL8091180

SCHEMBL8091180

C=CCOC(=O)NCC1CC=CC2CNCC21

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.31
ERN1 O75460 1/20 0.30

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
SCHEMBL8084531 0.84 ALDH1A1 (0.37)
SCHEMBL8094774 0.78 EPHX1 (0.36)
SCHEMBL8094725 0.77 MAPT (0.31) CASP1ERN1
SCHEMBL8091114 0.67 GBA1 (0.35)
SCHEMBL28467967 0.66 ALOX15 (0.53) CASP1
SCHEMBL13055388 0.65 MAPT (0.42) CASP1ERN1
SCHEMBL8084535 0.64
SCHEMBL7851189 0.64 NFKB1 (0.39)
SCHEMBL31236510 0.64 ALDH1A1 (0.43) CASP1ERN1
SCHEMBL31236474 0.64 ALDH1A1 (0.43) CASP1ERN1

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