SCHEMBL7862736

SCHEMBL7862736

C#C[C@@H](NC(=O)CCC(=O)Nc1ccc(C(=N)N)cc1)C(CC)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.64
ITGA2B P08514 15/20 0.64

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
SCHEMBL7544610 1.00 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL7346582 0.85 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL9440442 0.81 ITGB3 (0.63) ITGB3ITGA2B
SCHEMBL8906274 0.81 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL7544637 0.81 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL8897695 0.80 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL5165495 0.78 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7080314 0.78 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7075531 0.78 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL7423098 0.78 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912901-B1 METHOD AND REAGENT FOR MONITORING BLOOD LEVELS OF ANTIPLATELET COMPOUNDS SEARLE & CO (US) 2001-11-07 EP claimed
US-6150114-A Method and reagent for monitoring blood levels of antiplantelet compounds G. D. SEARLE & CO. (US) 2000-11-21 US claimed
EP-0839128-B1 PROCESS FOR THE PREPARATION OF ETHYL 3S-[[4-[[4-(AMINOIMINOMETHYL)PHENYL]AMINO]-1,4-DIOXOBUTYL]AMINO]-4-PENTYNOATE SEARLE & CO (US) 2000-04-05 EP claimed