SCHEMBL9258767

SCHEMBL9258767

N=C(N)c1ccc(NC(=O)C2CCCCC2C(=O)NC(CC(=O)O)c2ncc[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.43
ITGA2B P08514 14/20 0.43
KLK5 Q9Y337 2/20 0.42
FPR2 P25090 1/20 0.39
F2 P00734 2/20 0.39
KLK1 P06870 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL9558987 0.82 ITGB3 (0.64) ITGB3ITGA2BF2
SCHEMBL9262498 0.80 F2 (0.45) ITGB3ITGA2BKLK5F2KLK1
SCHEMBL9558988 0.80 ITGB3 (0.64) ITGB3ITGA2BF2
SCHEMBL9264956 0.79 ITGB3 (0.45) ITGB3ITGA2BKLK5F2
SCHEMBL9426023 0.78 KLK5 (0.45) ITGB3ITGA2BKLK5F2KLK1
SCHEMBL9558976 0.78 ITGB3 (0.66) ITGB3ITGA2BF2
SCHEMBL9263614 0.74 KLK5 (0.40) ITGB3ITGA2BKLK5F2KLK1
SCHEMBL7352353 0.74 ITGB3 (0.66) ITGB3ITGA2BF2
SCHEMBL7344449 0.74 ITGB3 (0.66) ITGB3ITGA2BF2
SCHEMBL7361739 0.73 CYP2C19 (0.67) KLK5F2CYP2C19

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-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US disclosed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP disclosed