SCHEMBL8133085

SCHEMBL8133085

CC1C=CC(N)C2CN(c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3Cl)CC12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
POLB P06746 3/20 0.68
OPRM1 P35372 2/20 0.68
CHRM2 P08172 1/20 0.68
CHRM1 P11229 1/20 0.68
OPRD1 P41143 1/20 0.68
KCNH2 Q12809 6/20 0.51
KDM4E B2RXH2 3/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 2/20 0.50
PRKD3 O94806 1/20 0.50
ALOX15 P16050 1/20 0.50
CLK2 P49760 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.46

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
SCHEMBL8133384 0.92 ALDH1A1 (0.56) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8133088 0.89 ALDH1A1 (0.53) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9692887 0.89 ALDH1A1 (0.67) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8133734 0.88 KDM4E (0.66) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8137982 0.88 ALDH1A1 (0.61) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL13715941 0.85 ALDH1A1 (0.67) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7955893 0.85 ALDH1A1 (0.67) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10374431 0.85 ALDH1A1 (0.73) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10374418 0.85 ALDH1A1 (0.73) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10374417 0.85 ALDH1A1 (0.73) ALDH1A1POLBOPRM1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0704443-B1 Quinolone and naphthyridone carboxylic acid derivatives BAYER AG (DE) 2000-12-27 EP disclosed
EP-0705828-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1999-12-01 EP disclosed
US-5990122-A SUBSTITUTED IN THE 7-POSITION BY A TRICYCLIC AMINE RADICAL; REDUCED GENOTOXIC PROPERTIES AND INCREASED ANTIBACTERIAL ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed
US-5986105-A ENANTIOMORPHS AS BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-11-16 US disclosed
US-5753669-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-05-19 US disclosed
US-5679689-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
US-5605910-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-25 US disclosed
EP-0705828-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-04-10 EP disclosed
US-5464796-A Bactericides and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-11-07 US disclosed
EP-0520240-A1 7-Isoindolinyl-quinolone and naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1992-12-30 EP disclosed