SCHEMBL27368967

SCHEMBL27368967

CCOC(=O)CCCNC(=O)N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.65
ITGA2B P08514 1/20 0.65
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
FPR2 P25090 4/20 0.44
ALDH1A1 P00352 1/20 0.39
FNTA P49354 6/20 0.38
FNTB P49356 6/20 0.38
PGGT1B P53609 5/20 0.38
FPR1 P21462 2/20 0.38
DPP4 P27487 1/20 0.37
EPHX2 P34913 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPT P10636 1/20 0.37
NAMPT P43490 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL7420718 0.94 ITGB3 (0.72) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7415603 0.94 ITGB3 (0.72) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7453824 0.87 ITGB3 (0.60) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7442381 0.87 ITGB3 (0.62) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7446548 0.86 ITGB3 (0.59) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL8996398 0.86 HDAC1 (0.50) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7449160 0.85 ITGB3 (0.59) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7449777 0.84 ITGB3 (0.59) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7447587 0.84 ITGB3 (0.59) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL8102018 0.82 ITGB3 (0.56) 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
CN-1054842-C Platelet aggregation inhibitors SEARLE & CO (US) 2000-07-26 CN disclosed
CN-1124957-A 1-amidinophenyl-pyrrolidones piperidinones azetinones as platelet aggregation inhibitors SEARLE & CO (US) 1996-06-19 CN disclosed