SCHEMBL6990330

SCHEMBL6990330

CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)OC2(Nc3cccc(C(=N)NO)c3)CCNCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.40
F2 P00734 7/20 0.40
PRSS1 P07477 9/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
KCNH2 Q12809 1/20 0.36
F9 P00740 1/20 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
SCHEMBL6990880 0.92 F10 (0.47) F10F2PRSS1PRSS2PRSS3
SCHEMBL6988979 0.91 F10 (0.49) F10F2PRSS1PRSS2PRSS3
SCHEMBL6986987 0.90 F10 (0.40) F10F2PRSS1PRSS2PRSS3
SCHEMBL6995007 0.90 F10 (0.40) F10F2PRSS1PRSS2PRSS3
SCHEMBL6995249 0.84 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL6988355 0.82 F10 (0.47) F10F2PRSS1PRSS2PRSS3
SCHEMBL6993018 0.82 F10 (0.47) F10F2PRSS1PRSS2PRSS3
SCHEMBL6995018 0.81 F10 (0.49) F10F2PRSS1PRSS2PRSS3
SCHEMBL6992976 0.81 F10 (0.51) F10F2PRSS1PRSS2PRSS3
SCHEMBL6995749 0.81 F10 (0.36) F10F2PRSS1PRSS2PRSS3

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