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SCHEMBL6988286

SCHEMBL6988286

CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)OC2CSCN2c2cccc(C(=N)N)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 14/20 0.55
▸ PRSS1 P07477 14/20 0.55
▸ PRSS2 P07478 11/20 0.55
▸ PRSS3 P35030 11/20 0.55
▸ F10 P00742 17/20 0.48
▸ F9 P00740 2/20 0.48
▸ KCNH2 Q12809 1/20 0.44

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
SCHEMBL6985947 0.93 F10 (0.55) F2PRSS1PRSS2PRSS3F10
SCHEMBL6986798 0.88 F2 (0.59) F2PRSS1PRSS2PRSS3F10
SCHEMBL6982174 0.86 PRSS1 (0.56) F2PRSS1PRSS2PRSS3F10
SCHEMBL7061085 0.86 PRSS1 (0.57) F2PRSS1PRSS2PRSS3F10
SCHEMBL6988335 0.86 F2 (0.57) F2PRSS1PRSS2PRSS3F10
SCHEMBL6992346 0.84 F2 (0.56) F2PRSS1PRSS2PRSS3F10
SCHEMBL6985228 0.84 F2 (0.54) F2PRSS1PRSS2PRSS3F10
SCHEMBL6987778 0.83 F2 (0.52) F2PRSS1PRSS2PRSS3F10
SCHEMBL6989110 0.82 PRSS1 (0.55) F2PRSS1PRSS2PRSS3F10
SCHEMBL6986677 0.82 F2 (0.55) F2PRSS1PRSS2PRSS3F10

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-1301506-A1 CYCLIC AMINO ACID DERIVATIVES MERCK PATENT GmbH (DE) 2003-04-16 — — EP disclosed
WO-2002006269-A1 CYCLIC AMINO ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-01-24 — — WO disclosed