SCHEMBL7955893

SCHEMBL7955893

NC1C=CCC2CN(c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3Cl)CC12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
POLB P06746 2/20 0.67
OPRM1 P35372 2/20 0.67
CHRM2 P08172 1/20 0.67
CHRM1 P11229 1/20 0.67
OPRD1 P41143 1/20 0.67
KCNH2 Q12809 5/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
PRKD3 O94806 1/20 0.46
ALOX15 P16050 1/20 0.46
CLK2 P49760 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TOP2A P11388 4/20 0.44

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
SCHEMBL13715941 1.00 ALDH1A1 (0.67) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL9139143 0.99 ALDH1A1 (0.66) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8673123 0.91 ALDH1A1 (0.54) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8092764 0.91 ALDH1A1 (0.54) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8533023 0.91 ALDH1A1 (0.54) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9694537 0.89 ALDH1A1 (0.53) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL9694370 0.89 ALDH1A1 (0.52) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9136074 0.88 ALDH1A1 (0.60) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL9139082 0.88 ALDH1A1 (0.59) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9095830 0.86 ALDH1A1 (0.67) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520240-A1 7-Isoindolinyl-quinolone and naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1992-12-30 EP claimed
US-6271342-B1 SERUM STABILITY; FOR TUMOR THERAPY BAYER AKTIENGESELLSCHAFT (DE) 2001-08-07 US disclosed
US-5783708-A HEXAHYDROISOINDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
US-5703094-A Quinolone- and naphthyridonecarboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1997-12-30 US 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