SCHEMBL7544623

SCHEMBL7544623

CCC#CC(CC(=O)O)NC(=O)CCC(=O)Nc1ccc(C(=N)N)cc1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.79
ITGA2B P08514 19/20 0.79

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
SCHEMBL7346090 0.90 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL7346663 0.90 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL7347039 0.89 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7352866 0.87 ITGB3 (0.72) ITGB3ITGA2B
SCHEMBL7376276 0.86 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7080314 0.84 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL5165495 0.84 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7346085 0.84 ITGB3 (0.79) ITGB3ITGA2B
SCHEMBL7354607 0.84 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL7353553 0.81 ITGB3 (0.74) 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
WO-1997035579-A1 A METHOD FOR INHIBITING CLOT FORMATION MERCK & CO., INC. (US) 1997-10-02 WO claimed