SCHEMBL6565306

SCHEMBL6565306

CC(C)N(CC(=O)O)C(=O)Nc1ccc(C#CCNc2ccc(C(=N)N)cc2)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.39
AR P10275 6/20 0.38
UBE2M P61081 2/20 0.36
DCUN1D1 Q96GG9 2/20 0.36
F2 P00734 3/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
CYP2C19 P33261 1/20 0.33
ABCB11 O95342 1/20 0.33
ALB P02768 1/20 0.33
PGR P06401 1/20 0.33
ADRA2C P18825 1/20 0.33
GHSR Q92847 1/20 0.33

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
SCHEMBL6563598 0.90 F7 (0.38) F7ARF2ITGB3ITGA2B
SCHEMBL6565368 0.89 ITGB3 (0.37) F7ARUBE2MDCUN1D1F2
SCHEMBL6563746 0.88 F7 (0.37) F7ARF2ITGB3ITGA2B
SCHEMBL6565998 0.88 ITGB3 (0.37) F7F2ITGB3ITGA2B
SCHEMBL4250062 0.81 ITGB3 (0.36) F7F2ITGB3ITGA2B
SCHEMBL7674138 0.80 PLAU (0.34) F7F2ITGB3ITGA2B
SCHEMBL6565445 0.80 ITGB3 (0.36) F7F2ITGB3ITGA2B
SCHEMBL6565297 0.80 F7 (0.38) F7ARF2ITGB3ITGA2B
SCHEMBL6563559 0.79 ITGB3 (0.36) F7F2ITGB3ITGA2B
SCHEMBL7678059 0.79 F7 (0.35) F7F2ITGB3ITGA2B

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