SCHEMBL8959433

SCHEMBL8959433

CCC(C(=O)O)N1CC(=O)N(Cc2ccc(F)cc2F)c2ccc(C=Cc3ccccc3C(=N)N)cc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.36
EDNRA P25101 2/20 0.36
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
TRPA1 O75762 1/20 0.31
F2 P00734 1/20 0.31
PPARG P37231 1/20 0.30

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
SCHEMBL7359512 0.90 ITGB3 (0.41) EDNRBEDNRAITGB3ITGA2BHTR2A
SCHEMBL7425624 0.78 ITGB3 (0.42) ITGB3ITGA2BF2
SCHEMBL7361166 0.77 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7361582 0.76 EDNRB (0.34) EDNRBEDNRATRPA1
SCHEMBL7363490 0.74 ITGB3 (0.37) EDNRBEDNRAITGB3ITGA2BHTR2A
SCHEMBL7358573 0.74 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL7362403 0.74 CHRM5 (0.38) EDNRBEDNRAHTR2A
SCHEMBL7357511 0.73 ITGB3 (0.47) ITGB3ITGA2BTRPA1F2
SCHEMBL7363456 0.73 ITGB3 (0.52) ITGB3ITGA2BTRPA1F2
SCHEMBL7356103 0.72 ITGB3 (0.57) ITGB3ITGA2BF2

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
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed