SCHEMBL6995749

SCHEMBL6995749

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)OC2(Nc3cccc(C(=N)NO)c3)CCS(=O)(=O)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.36
PRSS1 P07477 7/20 0.36
FPR2 P25090 2/20 0.35
FPR1 P21462 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
F2 P00734 3/20 0.34
KCNH2 Q12809 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34

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
SCHEMBL6994642 0.91 F10 (0.36) F10PRSS1FPR2FPR1GPR119
SCHEMBL6987255 0.91 FPR2 (0.37) F10PRSS1FPR2FPR1GPR119
SCHEMBL6986987 0.91 F10 (0.40) F10PRSS1F2KCNH2PRSS2
SCHEMBL6993018 0.89 F10 (0.47) F10PRSS1F2KCNH2PRSS2
SCHEMBL7076657 0.87 F10 (0.40) F10PRSS1F2PRSS2PRSS3
SCHEMBL7076640 0.83 F10 (0.41) F10PRSS1FPR2FPR1F2
SCHEMBL6995380 0.82 F10 (0.46) F10PRSS1F2KCNH2PRSS2
SCHEMBL6989984 0.82 F10 (0.46) F10PRSS1F2KCNH2PRSS2
SCHEMBL7081032 0.82 F10 (0.41) F10PRSS1FPR2FPR1F2
SCHEMBL6995007 0.81 F10 (0.40) F10PRSS1F2KCNH2PRSS2

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