SCHEMBL9380356

SCHEMBL9380356

NCC1CCN(c2c(F)cc3c(=O)c(OC(=O)O)cn(C4CC4)c3c2F)C1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.67
TOP1 P11387 6/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
OPRM1 P35372 2/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
OPRD1 P41143 1/20 0.49
KDM4E B2RXH2 1/20 0.46
PRKD3 O94806 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
CLK2 P49760 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
TDP1 Q9NUW8 1/20 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
Hydrochloric Acid SCHEMBL8131737 0.99 KCNH2 (0.66) KCNH2TOP1ALDH1A1POLBOPRM1
SCHEMBL9665917 0.94 KCNH2 (0.58) KCNH2TOP1ALDH1A1POLBOPRM1
SCHEMBL9023119 0.91 KCNH2 (0.56) KCNH2TOP1ALDH1A1POLBOPRM1
SCHEMBL9022897 0.89 KCNH2 (0.54) KCNH2TOP1ALDH1A1POLBOPRM1
SCHEMBL9376511 0.89 KCNH2 (0.54) KCNH2TOP1ALDH1A1POLBOPRM1
SCHEMBL9380854 0.89 KCNH2 (0.53) KCNH2TOP1ALDH1A1POLBOPRM1
SCHEMBL8112090 0.88 KCNH2 (0.82) KCNH2TOP1ALDH1A1POLBOPRM1
SCHEMBL10443783 0.88 ALDH1A1 (0.64) KCNH2TOP1ALDH1A1POLBOPRM1
SCHEMBL8195801 0.88 ALDH1A1 (0.64) KCNH2TOP1ALDH1A1POLBOPRM1
SCHEMBL10443397 0.88 ALDH1A1 (0.64) KCNH2TOP1ALDH1A1POLBOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0236673-B1 Process for quinoline-3-carboxylic acid antibacterial agents WARNER LAMBERT CO (US) 1994-07-13 EP claimed
EP-0235589-B1 USE OF QUINOLONE AND NAPHTHYRIDINE ANTIBIOTICS FOR THE MANUFACTURE OF OPHTHALMIC MEDICAMENTS WARNER-LAMBERT COMPANY (US) 1992-10-28 EP claimed
EP-0198678-B1 A PROCESS FOR PREPARING SUBSTITUTED QUINOLINE-3-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 1991-08-21 EP claimed
EP-0200307-B1 IMPROVED PROCESS FOR PRODUCTION OF QUINOLINE-3-CARBOXYLIC ACID ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-12-20 EP claimed