SCHEMBL8107039

SCHEMBL8107039

C#CC(NC(=O)CC1CCCN(c2ccc(C=NN)cc2)C1=O)C(CC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40

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
SCHEMBL8121584 1.00 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL8122271 0.95 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL8108831 0.90 ITGB3 (0.35) ITGB3ITGA2B
SCHEMBL8122974 0.90 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL8117653 0.89 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL8118294 0.89 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL8125482 0.89 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL8118631 0.86 CYP1A2 (0.35) ITGB3ITGA2B
SCHEMBL8115483 0.86 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL7424236 0.86 ITGB3 (0.36) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP claimed