SCHEMBL7422771

SCHEMBL7422771

NN=Cc1ccc(N2CCCC(CC(=O)NC(CC(=O)O)c3ccco3)C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.39
ITGA2B P08514 5/20 0.39
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 2/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7421599 0.90 SMN1; SMN2 (0.36) ITGB3ITGA2BPOLBMAPTTDP1
SCHEMBL7419412 0.88 ITGB3 (0.46) ITGB3ITGA2BKMT2A
SCHEMBL8117189 0.86 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL7422754 0.85 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL8117264 0.83 ITGB3 (0.42) ITGB3ITGA2BMAPTTDP1HPGD
SCHEMBL7414406 0.83 ITGB3 (0.42) ITGB3ITGA2BMAPTTDP1HPGD
SCHEMBL7423992 0.83 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL7417886 0.83 ITGB3 (0.42) ITGB3ITGA2BALDH1A1SMN1; SMN2
SCHEMBL8116572 0.82 ITGB3 (0.40) ITGB3ITGA2BMAPTTDP1HPGD
SCHEMBL7416285 0.82 ITGB3 (0.38) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1054842-C Platelet aggregation inhibitors SEARLE & CO (US) 2000-07-26 CN claimed
CN-1124957-A 1-amidinophenyl-pyrrolidones piperidinones azetinones as platelet aggregation inhibitors SEARLE & CO (US) 1996-06-19 CN claimed
EP-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP disclosed
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
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed