SCHEMBL6978255

SCHEMBL6978255

N=C(N)c1ccc(NC(=O)CCC(=O)NC(CC(=O)O)c2cccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGA2B P08514 20/20 1.00
ITGAV P06756 1/20 0.53

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
SCHEMBL9390814 0.90 ITGB3 (0.82) ITGB3ITGA2B
SCHEMBL7391723 0.89 ITGB3 (0.79) ITGB3ITGA2BITGAV
SCHEMBL7178442 0.88 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL9389691 0.87 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL7385792 0.87 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL6984596 0.87 ITGB3 (0.76) ITGB3ITGA2B
SCHEMBL9389702 0.86 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL9390820 0.86 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL7384974 0.84 ITGB3 (0.79) ITGB3ITGA2B
SCHEMBL9390830 0.84 ITGB3 (0.72) ITGB3ITGA2BITGAV

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 8 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
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