SCHEMBL6993750

SCHEMBL6993750

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)O)cc1.N=C(NO)c1cccc(NC2CCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.42
FPR1 P21462 1/20 0.42
F10 P00742 13/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
USP30 Q70CQ3 1/20 0.37
PRSS1 P07477 6/20 0.37
F2 P00734 2/20 0.37
IDO1 P14902 1/20 0.37
KCNH2 Q12809 1/20 0.37
PRSS2 P07478 3/20 0.36
PRSS3 P35030 3/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL6995330 0.99 F10 (0.42) FPR2FPR1F10CYP3A4CYP2D6
SCHEMBL6999615 0.90 F10 (0.52) F10PRSS1F2KCNH2PRSS2
SCHEMBL6989579 0.90 PRSS1 (0.44) FPR2F10PRSS1F2IDO1
SCHEMBL6993192 0.89 F10 (0.44) FPR2F10PRSS1F2IDO1
SCHEMBL6996683 0.88 F10 (0.53) F10PRSS1F2KCNH2PRSS2
SCHEMBL6991785 0.87 F10 (0.54) F10PRSS1F2KCNH2PRSS2
SCHEMBL7143506 0.83 USP30 (0.44) FPR2FPR1F10CYP3A4CYP2D6
SCHEMBL7093219 0.83 USP30 (0.45) FPR2FPR1F10CYP3A4CYP2D6
SCHEMBL7401213 0.82 F10 (0.40) F10PRSS1F2KCNH2PRSS2
SCHEMBL6990138 0.80 PRSS1 (0.54) 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