SCHEMBL7817688

SCHEMBL7817688

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 15/20 0.43
▸ PRSS1 P07477 12/20 0.43
▸ PRSS2 P07478 3/20 0.41
▸ PRSS3 P35030 3/20 0.41
▸ SETDB1 Q15047 4/20 0.34
▸ MASP2 O00187 1/20 0.33

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
SCHEMBL7817575 0.87 F2 (0.61) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7819612 0.87 F2 (0.51) F2PRSS1PRSS2PRSS3SETDB1
SCHEMBL7817408 0.86 F2 (0.43) F2PRSS1PRSS2PRSS3SETDB1
SCHEMBL7819771 0.85 F2 (0.41) F2PRSS1PRSS2PRSS3SETDB1
SCHEMBL7817160 0.83 F2 (0.41) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7505080 0.83 F2 (0.61) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7824021 0.83 F2 (0.39) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7819680 0.82 NR2F2 (0.39) F2PRSS1PRSS2PRSS3
SCHEMBL7817562 0.82 F2 (0.44) F2PRSS1PRSS2PRSS3SETDB1
SCHEMBL7818083 0.82 F2 (0.41) 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 2 patents. 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
US-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 — — US disclosed
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