SCHEMBL7413784

SCHEMBL7413784

CC(C)CN(CCC(=O)O)C(=O)C(CC(=O)O)NC(=O)NCCCCc1ccc(C(=N)N)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.52
ITGA2B P08514 15/20 0.52
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38

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
SCHEMBL9098764 0.88 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL7413789 0.84 EPHX2 (0.37) ITGB3ITGA2BALDH1A1HPGDKMT2A
SCHEMBL7384435 0.80 ITGB3 (0.71) ITGB3ITGA2BST14
SCHEMBL7425583 0.78 ITGB3 (0.52) ITGB3ITGA2BKMT2A
SCHEMBL7416760 0.76 ITGB3 (0.56) ITGB3ITGA2BALDH1A1KMT2A
SCHEMBL9099960 0.76 ITGB3 (0.62) ITGB3ITGA2B
SCHEMBL9100195 0.76 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL7385808 0.75 ITGB3 (0.76) ITGB3ITGA2BST14
SCHEMBL9101931 0.75 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL7383400 0.74 ITGB3 (0.55) ITGB3ITGA2BST14

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-0659193-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1997-12-10 EP disclosed
US-5354738-A Amino acid derivatives G. D. SEARLE & CO. (US) 1994-10-11 US disclosed
WO-1994005694-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-03-17 WO disclosed