SCHEMBL8420322

SCHEMBL8420322

CC(=O)NCc1cc(-n2c(C)cnc(NCC(C)c3ccccc3)c2=O)c(N)nc1C

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 18/20 0.61
▸ PRSS1 P07477 14/20 0.61
▸ PRSS2 P07478 4/20 0.43
▸ PRSS3 P35030 4/20 0.43
▸ MASP2 O00187 1/20 0.39
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL7404488 1.00 F2 (0.61) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7817428 0.92 F2 (0.52) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7817562 0.86 F2 (0.44) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7818207 0.83 F2 (0.47) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7505080 0.83 F2 (0.61) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7405928 0.83 F2 (0.61) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7817431 0.83 F2 (0.61) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL8418959 0.83 F2 (0.61) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7817408 0.83 F2 (0.43) F2PRSS1PRSS2PRSS3
SCHEMBL7817861 0.81 F2 (0.61) F2PRSS1PRSS2PRSS3

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
US-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 — — US disclosed
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