SCHEMBL6563633

SCHEMBL6563633

CCCC(=O)N(CCC(=O)OC)c1cc(C)c(C#CCNc2ccc(C(=N)N)cc2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.37
F2 P00734 13/20 0.37
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
TMPRSS15 P98073 3/20 0.34
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
F7 P08709 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
SCHEMBL6562044 0.94 NQO2 (0.37) NQO2F2ITGB3ITGA2BTMPRSS15
SCHEMBL7676372 0.92 F2 (0.43) F2
SCHEMBL6565357 0.91 F2 (0.37) NQO2F2TMPRSS15
SCHEMBL6561682 0.88 NQO2 (0.39) NQO2F2ITGB3ITGA2BF10
SCHEMBL6563152 0.87 F2 (0.43) NQO2F2F10PRSS1
SCHEMBL6563280 0.86 NQO2 (0.35) NQO2F2ITGB3ITGA2BTMPRSS15
SCHEMBL6562287 0.86 F2 (0.41) F2ITGB3ITGA2B
SCHEMBL6563331 0.86 F2 (0.43) F2ITGB3ITGA2B
SCHEMBL6565347 0.86
SCHEMBL6563705 0.85 PRSS1 (0.35) NQO2F2ITGB3ITGA2BF10

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 4 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
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed