SCHEMBL7419677

SCHEMBL7419677

CCOC(=O)CCNC(=O)CC1CCN(c2ccc(C#N)cc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
POLB P06746 1/20 0.37
USP14 P54578 6/20 0.37
ROCK2 O75116 1/20 0.36
DPP4 P27487 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL7418895 0.84 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL7418903 0.83 ITGB3 (0.51) ITGB3ITGA2BPOLBKDM4ELMNA
SCHEMBL7415603 0.83 ITGB3 (0.72) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7420718 0.83 ITGB3 (0.72) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7422053 0.80 ITGB3 (0.40) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7418954 0.79 ITGB3 (0.66) ITGB3ITGA2BPOLBKDM4E
SCHEMBL7418959 0.78 ITGB3 (0.47) ITGB3ITGA2BPOLBKDM4ELMNA
SCHEMBL27368967 0.77 ITGB3 (0.65) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7442381 0.76 ITGB3 (0.62) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7417996 0.75 HDAC1 (0.49) HDAC1HDAC8HDAC6ROCK2

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-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP disclosed
CN-1124957-A 1-amidinophenyl-pyrrolidones piperidinones azetinones as platelet aggregation inhibitors SEARLE & CO (US) 1996-06-19 CN disclosed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed