SCHEMBL9689308

SCHEMBL9689308

COc1c(F)c(N2CCC(N)C2)c(Cl)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.65
ALDH1A1 P00352 4/20 0.65
OPRM1 P35372 2/20 0.65
CHRM2 P08172 1/20 0.65
CHRM1 P11229 1/20 0.65
OPRD1 P41143 1/20 0.65
KCNH2 Q12809 7/20 0.53
KDM4E B2RXH2 7/20 0.49
HPGD P15428 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
PRKD3 O94806 1/20 0.49
ALOX15 P16050 1/20 0.49
CLK2 P49760 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TOP1 P11387 2/20 0.48
CACNA1F O60840 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL8111701 0.88 POLB (0.68) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9688214 0.87 POLB (0.69) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9368503 0.87 POLB (0.69) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9688172 0.86 POLB (0.66) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9688692 0.86 POLB (0.65) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9688801 0.85 KCNH2 (0.55) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9087728 0.85 ALDH1A1 (0.56) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9372691 0.85 KCNH2 (0.60) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL8555828 0.83 POLB (0.66) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9689368 0.83 MEN1 (0.53) POLBALDH1A1OPRM1KCNH2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5097032-A Quinoline- and naphthyridine carboxylic acids, salts WARNER-LAMBERT COMPANY (US) 1992-03-17 US disclosed
EP-0265230-B1 SUBSTITUTED-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACIDS, DERIVATIVES THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS, AND PROCESSES FOR PRODUCING THE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1992-01-08 EP disclosed
US-4822801-A 4-oxo-1,4-dihydroquinoline-3-carboxylic acid derivative as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-04-18 US disclosed