SCHEMBL6984596

SCHEMBL6984596

CCOC(=O)CC(NC(=O)CCC(=O)Nc1ccc(C(=N)N)cc1)c1cccnc1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.76
ITGA2B P08514 19/20 0.76
F2 P00734 1/20 0.44

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
SCHEMBL7389396 0.91 ITGB3 (0.64) ITGB3ITGA2BF2
SCHEMBL7382919 0.89 ITGB3 (0.61) ITGB3ITGA2BF2
SCHEMBL7353167 0.89 ITGB3 (0.75) ITGB3ITGA2BF2
SCHEMBL9394443 0.89 ITGB3 (0.60) ITGB3ITGA2BF2
SCHEMBL7387361 0.89 ITGB3 (0.60) ITGB3ITGA2BF2
SCHEMBL9394717 0.89 ITGB3 (0.60) ITGB3ITGA2BF2
SCHEMBL7388209 0.88 ITGB3 (0.59) ITGB3ITGA2BF2
SCHEMBL6978255 0.87 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL9394430 0.86 ITGB3 (0.57) ITGB3ITGA2BF2
SCHEMBL7388211 0.86 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 9 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 claimed
EP-0539343-B1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2000-07-26 EP claimed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US claimed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP claimed
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