SCHEMBL7419456

SCHEMBL7419456

CCOC(=O)C[C@@H](C)NC(=O)NC1CCN(c2ccc(C#N)cc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
FPR2 P25090 6/20 0.44
FNTA P49354 6/20 0.38
FNTB P49356 6/20 0.38
PGGT1B P53609 5/20 0.38
FPR1 P21462 3/20 0.38
USP14 P54578 3/20 0.37
KCNH2 Q12809 1/20 0.37
ROCK2 O75116 2/20 0.35

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
SCHEMBL7412595 1.00 ITGB3 (0.51) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7412598 1.00 ITGB3 (0.51) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7419451 1.00 ITGB3 (0.51) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7411896 0.87 ITGB3 (0.47) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7417838 0.85 ITGB3 (0.57) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7417832 0.85 ITGB3 (0.57) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL8108543 0.84 ITGB3 (0.71) ITGB3ITGA2BFPR2FPR1
SCHEMBL8115160 0.84 ITGB3 (0.71) ITGB3ITGA2BFPR2FPR1
SCHEMBL7530926 0.84 ITGB3 (0.51) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7415603 0.83 ITGB3 (0.72) ITGB3ITGA2BHDAC1HDAC8HDAC6

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 2 patents. 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 disclosed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed