SCHEMBL8544627

SCHEMBL8544627

C=C[C@H](CC(=O)O)NC(=O)Cn1ccn(-c2ccc(C(=N)N)cc2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.56
ITGA2B P08514 18/20 0.56
CASP1 P29466 1/20 0.35
F10 P00742 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
Trifluoroacetic Acid SCHEMBL7403550 0.94 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL9053763 0.87 ITGB3 (0.44) ITGB3ITGA2BF10
SCHEMBL7403554 0.85 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL8538055 0.85 ITGB3 (0.54) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7399230 0.84 ITGB3 (0.42) ITGB3ITGA2BF10
SCHEMBL8543639 0.82 ITGB3 (0.57) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7401536 0.80 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7403166 0.79 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL8538639 0.78 ITGB3 (0.43) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7404704 0.78 ALOX15 (0.44) 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-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP claimed