SCHEMBL7817431

SCHEMBL7817431

CC(=O)NCc1cc(-n2c(C)cnc(N[C@@H](C)Cc3ccccc3)c2=O)c(N)nc1C

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 19/20 0.61
▸ PRSS1 P07477 14/20 0.61
▸ PRSS2 P07478 2/20 0.43
▸ PRSS3 P35030 2/20 0.43
▸ MASP2 O00187 1/20 0.39

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
SCHEMBL8418959 1.00 F2 (0.61) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7405928 1.00 F2 (0.61) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7818508 0.92 F2 (0.52) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7817035 0.87 F2 (0.47) F2PRSS1
SCHEMBL7817408 0.87 F2 (0.43) F2PRSS1PRSS2PRSS3
SCHEMBL7404488 0.83 F2 (0.61) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7818207 0.80 F2 (0.47) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7819612 0.80 F2 (0.51) F2PRSS1PRSS2PRSS3
SCHEMBL7817688 0.80 F2 (0.43) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7817562 0.79 F2 (0.44) F2PRSS1PRSS2PRSS3MASP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900207-B1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2001-11-21 — — EP disclosed
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