SCHEMBL6561932

SCHEMBL6561932

Cc1cc(N(C(=O)CCC(=O)O)C(C)C)c(C)cc1CCCNc1ccc(C(=N)N)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.41
F2 P00734 5/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
TMPRSS6 Q8IU80 2/20 0.40
ST14 Q9Y5Y6 2/20 0.40
ITGB3 P05106 5/20 0.40
ITGA2B P08514 5/20 0.40

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
SCHEMBL8360714 0.80 ITGB3 (0.45) F2ITGB3ITGA2B
SCHEMBL6563611 0.80 ITGB3 (0.38) PRSS1F2PRSS2PRSS3ITGB3
SCHEMBL6563528 0.77 PRSS1 (0.51) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6565303 0.77 PRSS1 (0.40) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6563095 0.74 ALDH1A1 (0.38) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL4250003 0.72 ITGB3 (0.37) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL7668378 0.72 PLAU (0.49) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6565916 0.72 ITGB3 (0.35) PRSS1F2ITGB3ITGA2B
SCHEMBL6563300 0.71 ITGB3 (0.37) PRSS1F2PRSS2PRSS3ITGB3
SCHEMBL6563607 0.71 ITGB3 (0.40) PRSS1F2PRSS2PRSS3ITGB3

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