SCHEMBL6565303

SCHEMBL6565303

CCC(=O)N(CCC(=O)OC)c1cc(C)c(CCCNc2ccc(C(=N)N)cc2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.40
F2 P00734 7/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
TMPRSS6 Q8IU80 2/20 0.39
ST14 Q9Y5Y6 2/20 0.39
NQO2 P16083 1/20 0.37
TMPRSS15 P98073 2/20 0.35

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
SCHEMBL6563095 0.81 ALDH1A1 (0.38) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6562044 0.81 NQO2 (0.37) PRSS1F2NQO2TMPRSS15
SCHEMBL6561932 0.77 PRSS1 (0.41) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6563633 0.75 NQO2 (0.37) PRSS1F2NQO2TMPRSS15
SCHEMBL6563331 0.72 F2 (0.43) F2
SCHEMBL6563528 0.72 PRSS1 (0.51) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6563705 0.71 PRSS1 (0.35) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6563280 0.70 NQO2 (0.35) PRSS1F2PRSS2PRSS3ST14
SCHEMBL6563152 0.69 F2 (0.43) PRSS1F2PRSS2PRSS3NQO2
SCHEMBL6563646 0.69 KMT2A (0.35)

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