SCHEMBL9028509

SCHEMBL9028509

N=C(N)c1ccccc1N1CCCC(CC(=O)NC(C#Cc2ccccc2)CC(=O)O)C1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.43
ITGA2B P08514 12/20 0.43
F2R P25116 1/20 0.41
IL2RA P01589 1/20 0.37
ALB P02768 1/20 0.37
IL2 P60568 1/20 0.37
LGMN Q99538 1/20 0.36
F2 P00734 2/20 0.32
AVPR2 P30518 2/20 0.32
AVPR1A P37288 1/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32

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
SCHEMBL7416611 0.86 ITGB3 (0.43) ITGB3ITGA2BF2RIL2RAALB
SCHEMBL7416622 0.78 ITGB3 (0.42) ITGB3ITGA2BF2RIL2RAALB
SCHEMBL9034310 0.78 ALDH1A1 (0.42) IL2RAALBIL2F2
SCHEMBL7417270 0.77 ITGB3 (0.45) ITGB3ITGA2BIL2RAALBIL2
SCHEMBL7416994 0.73 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL7416997 0.73 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL7416989 0.73 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL9028890 0.73 IL2RA (0.36) ITGB3ITGA2BIL2RAALBIL2
SCHEMBL7422078 0.73 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL7418292 0.73 ITGB3 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP claimed