SCHEMBL7401538

SCHEMBL7401538

CC(CC(=O)OC(=O)C(F)(F)F)NC(=O)Cn1ccn(-c2ccc(C(=N)N)cc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.39
ITGA2B P08514 8/20 0.39
ELANE P08246 4/20 0.34
F7 P08709 2/20 0.33
F10 P00742 2/20 0.33
F2 P00734 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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 SCHEMBL7398703 0.88 ITGB3 (0.39) ITGB3ITGA2BELANEF10F2
Trifluoroacetic Acid SCHEMBL7401536 0.87 ITGB3 (0.49) ITGB3ITGA2BF7F2
SCHEMBL7403554 0.87 ITGB3 (0.41) ITGB3ITGA2BMAPTLMNATP53
SCHEMBL8538055 0.85 ITGB3 (0.54) ITGB3ITGA2BF7F2
SCHEMBL7400272 0.82 MAPT (0.37) ITGB3ITGA2BF2MAPTLMNA
SCHEMBL7396063 0.81 ITGB3 (0.37) ITGB3ITGA2BF2MAPTLMNA
Trifluoroacetic Acid SCHEMBL7399230 0.76 ITGB3 (0.42) ITGB3ITGA2BELANEF10F2
SCHEMBL7405139 0.76 ITGB3 (0.39) ITGB3ITGA2BF7F2
Trifluoroacetic Acid SCHEMBL7403550 0.76 ITGB3 (0.51) ITGB3ITGA2BF2
SCHEMBL9053763 0.74 ITGB3 (0.44) ITGB3ITGA2BF10F2TP53

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
EP-0715623-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 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
WO-1995006038-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed