SCHEMBL7403554

SCHEMBL7403554

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
RXFP1 Q9HBX9 2/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 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
Trifluoroacetic Acid SCHEMBL7403550 0.88 ITGB3 (0.51) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7399230 0.88 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL7401538 0.87 ITGB3 (0.39) ITGB3ITGA2BRXFP1LMNATP53
SCHEMBL9053763 0.86 ITGB3 (0.44) ITGB3ITGA2BTP53
SCHEMBL8544627 0.85 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL7400272 0.80 MAPT (0.37) ITGB3ITGA2BRXFP1LMNATP53
SCHEMBL7396063 0.79 ITGB3 (0.37) ITGB3ITGA2BRXFP1LMNATP53
Trifluoroacetic Acid SCHEMBL7401536 0.76 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7405139 0.76 ITGB3 (0.39) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7398703 0.75 ITGB3 (0.39) 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
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP claimed
US-5430043-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-07-04 US claimed
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP disclosed
US-5489594-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-02-06 US disclosed
US-5430043-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-07-04 US disclosed
WO-1995006038-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed