SCHEMBL6098304

SCHEMBL6098304

O=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1cccc(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 5/20 0.76
SCN9A Q15858 6/20 0.56
FPR2 P25090 1/20 0.54
SCN10A Q9Y5Y9 1/20 0.53
GPR132 Q9UNW8 1/20 0.51
ABL1 P00519 1/20 0.49
CTSA P10619 3/20 0.47
ITGB1 P05556 1/20 0.47
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
CNR2 P34972 1/20 0.47

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
SCHEMBL5926427 0.88 SCN9A (0.65) SUCNR1SCN9ACTSACNR2
SCHEMBL5926357 0.87 CTSA (0.62) SUCNR1SCN9AFPR2CTSAITGB1
SCHEMBL26263285 0.87 SUCNR1 (0.81) SUCNR1SCN9ASCN10AABL1CTSA
SCHEMBL26264461 0.87 SUCNR1 (1.00) SUCNR1SCN9ASCN10AABL1CTSA
SCHEMBL6098309 0.83 SUCNR1 (0.75) SUCNR1CTSA
SCHEMBL5927093 0.83 SCN9A (0.54) SUCNR1SCN9ACTSACNR2
SCHEMBL3995770 0.83 FPR2 (0.63) SUCNR1FPR2GPR132ITGB1ITGA4
SCHEMBL5927050 0.82 CNR2 (0.53) SUCNR1SCN9ACTSACNR2
SCHEMBL4831843 0.80 FPR2 (0.56) SUCNR1FPR2GPR132
SCHEMBL5926441 0.80 ITGB1 (0.51) SUCNR1SCN9ACTSAITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US disclosed