SCHEMBL6980684

SCHEMBL6980684

N=C(N)c1ccc(NC(=O)CCC(=O)NC(CC(=O)O)c2ccc3c(c2)OCO3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGA2B P08514 20/20 1.00

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
SCHEMBL6978958 0.87 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL6352863 0.85 ITGB3 (0.74) ITGB3ITGA2B
SCHEMBL7379881 0.85 ITGB3 (0.74) ITGB3ITGA2B
SCHEMBL6980669 0.84 ITGB3 (0.73) ITGB3ITGA2B
SCHEMBL6980709 0.83 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL7353569 0.82 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL8031013 0.81 ITGB3 (0.83) ITGB3ITGA2B
SCHEMBL7178442 0.81 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7379681 0.81 ITGB3 (0.68) ITGB3ITGA2B
SCHEMBL7379687 0.81 ITGB3 (0.68) ITGB3ITGA2B

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
EP-0539343-B1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2000-07-26 EP 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