SCHEMBL6565377

SCHEMBL6565377

Cc1cc(N(C(=O)NCCC(=O)O)C(C)C)c(C)cc1C#CCNc1ccc(C(=N)N)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.41
ITGA2B P08514 10/20 0.41
F2 P00734 4/20 0.35
PRSS1 P07477 2/20 0.34
TMPRSS15 P98073 1/20 0.34
F7 P08709 1/20 0.33
ITGB2 P05107 1/20 0.33
ITGAM P11215 1/20 0.33
PLAU P00749 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
SCHEMBL4250057 0.91 ITGB3 (0.38) ITGB3ITGA2BF2PRSS1TMPRSS15
SCHEMBL6561873 0.90 ITGB3 (0.38) ITGB3ITGA2BF2PRSS1F7
SCHEMBL6563611 0.89 ITGB3 (0.38) ITGB3ITGA2BF2PRSS1F7
SCHEMBL4250003 0.87 ITGB3 (0.37) ITGB3ITGA2BF2PRSS1F7
SCHEMBL6563915 0.86 ITGB3 (0.35) ITGB3ITGA2BF2PRSS1PLAU
SCHEMBL6563086 0.86 F2 (0.39) ITGB3ITGA2BF2PRSS1F7
SCHEMBL6563578 0.86 ITGB3 (0.37) ITGB3ITGA2BF2PRSS1TMPRSS15
SCHEMBL7678053 0.85 ITGB3 (0.36) ITGB3ITGA2BF2PRSS1TMPRSS15
SCHEMBL6563300 0.85 ITGB3 (0.37) ITGB3ITGA2BF2PRSS1F7
SCHEMBL7670888 0.85 F2 (0.38) ITGB3ITGA2BF2PRSS1F7

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