SCHEMBL6976581

SCHEMBL6976581

CCOC(=O)C(CNC(=O)CCC(=O)Nc1ccc(C(=N)N)cc1)c1ncc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.48
ITGA2B P08514 6/20 0.48
F7 P08709 1/20 0.46
GAA P10253 2/20 0.45
NAMPT P43490 1/20 0.44
RGS12 O14924 1/20 0.43
KLK1 P06870 1/20 0.42
KLK5 Q9Y337 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL6982101 0.86 F7 (0.39) ITGB3ITGA2BF7KLK1KLK5
SCHEMBL6981209 0.84 F7 (0.39) ITGB3ITGA2BF7KLK1KLK5
SCHEMBL6978796 0.82 ITGB3 (0.48) ITGB3ITGA2BGAANAMPTMAPT
SCHEMBL6985761 0.81 BRD4 (0.37) F7GAA
SCHEMBL7345363 0.81 ITGB3 (0.55) ITGB3ITGA2BGAAMAPT
SCHEMBL7347870 0.80 ITGB3 (0.57) ITGB3ITGA2BGAAMAPT
SCHEMBL7348941 0.80 ITGB3 (0.57) ITGB3ITGA2BGAAMAPT
SCHEMBL6976784 0.79 POLB (0.52) ITGB3ITGA2BGAAMAPT
SCHEMBL7421564 0.79 ITGB3 (0.50) ITGB3ITGA2BGAAMAPT
SCHEMBL6979842 0.74 FPR2 (0.38) ITGB3ITGA2BF7KLK1KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630366-B1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2003-01-02 EP disclosed
EP-0539343-B1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2000-07-26 EP disclosed
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