SCHEMBL6993192

SCHEMBL6993192

CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)O)cc1.N=C(NO)c1cccc(NC2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.44
PRSS1 P07477 7/20 0.43
F2 P00734 5/20 0.43
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43
IDO1 P14902 1/20 0.40
KCNH2 Q12809 1/20 0.38
FPR2 P25090 1/20 0.37
F9 P00740 1/20 0.37

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
SCHEMBL6989579 0.99 PRSS1 (0.44) F10PRSS1F2PRSS2PRSS3
SCHEMBL6991785 0.91 F10 (0.54) F10PRSS1F2PRSS2PRSS3
SCHEMBL6996683 0.90 F10 (0.53) F10PRSS1F2PRSS2PRSS3
SCHEMBL6988107 0.90 F10 (0.55) F10PRSS1F2PRSS2PRSS3
SCHEMBL6995330 0.90 F10 (0.42) F10PRSS1F2PRSS2PRSS3
SCHEMBL6990138 0.90 PRSS1 (0.54) F10PRSS1F2PRSS2PRSS3
SCHEMBL6993750 0.89 FPR2 (0.42) F10PRSS1F2PRSS2PRSS3
SCHEMBL7087783 0.82 F10 (0.44) F10IDO1FPR2
SCHEMBL6986181 0.82 F10 (0.64) F10PRSS1F2PRSS2PRSS3
SCHEMBL7000040 0.81 F10 (0.63) F10PRSS1F2PRSS2PRSS3

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-1303482-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2003-04-23 EP disclosed
WO-2002008177-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-01-31 WO disclosed