SCHEMBL8097577

SCHEMBL8097577

O=C(NC1CC=CC2CNCC21)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NAAA Q02083 1/20 0.45
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR2C P28335 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL7851192 0.81 NFKB1 (0.39) ALDH1A1GAANAAAMEN1KMT2A
SCHEMBL8693432 0.81 NFKB1 (0.39) ALDH1A1GAANAAAMEN1KMT2A
SCHEMBL19015180 0.81 ALDH1A1 (0.56) CPB1ALDH1A1GAALMNASMN1; SMN2
SCHEMBL17438422 0.81 ALDH1A1 (0.56) CPB1ALDH1A1GAALMNASMN1; SMN2
SCHEMBL17438421 0.81 ALDH1A1 (0.56) CPB1ALDH1A1GAALMNASMN1; SMN2
SCHEMBL15748998 0.81 ALDH1A1 (0.56) CPB1ALDH1A1GAALMNASMN1; SMN2
SCHEMBL4261378 0.80 ALDH1A1 (0.58) CPB1ALDH1A1GAALMNASMN1; SMN2
SCHEMBL4083202 0.80 ALDH1A1 (0.58) CPB1ALDH1A1GAALMNASMN1; SMN2
SCHEMBL4261374 0.80 ALDH1A1 (0.58) CPB1ALDH1A1GAALMNASMN1; SMN2
SCHEMBL4361233 0.79 ALDH1A1 (0.55) CPB1ALDH1A1GAALMNASMN1; 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
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
EP-0770083-A1 PYRIDO[3,2,1-i,j][3,1]BENZOXAZINE DERIVATIVES BAYER AG (DE) 1997-05-02 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
WO-1996001829-A1 PYRIDO[3,2,1-i,j][3,1]BENZOXAZINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1996-01-25 WO 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