SCHEMBL6563595

SCHEMBL6563595

CC(C)N(C(=O)NCC(=O)O)c1cc(C(F)(F)F)c(C#CCNc2ccc(C(=N)N)cc2)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F7 P08709 6/20 0.38
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
F2 P00734 7/20 0.35
PRSS1 P07477 4/20 0.35
TMPRSS15 P98073 2/20 0.35
EGLN1 Q9GZT9 2/20 0.32
F10 P00742 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
SCHEMBL6563740 0.94 F7 (0.37) F7ITGB3ITGA2BF2PRSS1
SCHEMBL6565440 0.90 F7 (0.36) F7ITGB3ITGA2BF2PRSS1
SCHEMBL6565297 0.88 F7 (0.38) F7ITGB3ITGA2BF2PRSS1
SCHEMBL6563553 0.85 F7 (0.36) F7ITGB3ITGA2BF2PRSS1
SCHEMBL4250057 0.83 ITGB3 (0.38) F7ITGB3ITGA2BF2PRSS1
SCHEMBL7674133 0.82 ITGB3 (0.36) F7ITGB3ITGA2BF2PRSS1
SCHEMBL7678053 0.81 ITGB3 (0.36) F7ITGB3ITGA2BF2PRSS1
SCHEMBL6565989 0.79 ITGB3 (0.36) F7ITGB3ITGA2BF2PRSS1
SCHEMBL6565922 0.79 F7 (0.39) F7ITGB3ITGA2BF2EGLN1
SCHEMBL6565366 0.79 F7 (0.36) F7ITGB3ITGA2BF2PRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed