SCHEMBL7819771

SCHEMBL7819771

CC(=O)NCc1cc(-n2c(C)cnc(NC3CC3)c2=O)c(N)nc1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 16/20 0.41
▸ PRSS1 P07477 13/20 0.41
▸ PRSS2 P07478 2/20 0.41
▸ PRSS3 P35030 2/20 0.41
▸ IKBKB O14920 1/20 0.36
▸ CHUK O15111 1/20 0.36
▸ MAPK14 Q16539 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NR2F2 P24468 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SETDB1 Q15047 1/20 0.34

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
SCHEMBL7819680 0.96 NR2F2 (0.39) F2PRSS1PRSS2PRSS3IKBKB
SCHEMBL7819896 0.90 F2 (0.39) F2PRSS1PRSS2PRSS3SETDB1
SCHEMBL7824021 0.88 F2 (0.39) F2PRSS1PRSS2PRSS3MAPK14
SCHEMBL7817160 0.86 F2 (0.41) F2PRSS1PRSS2PRSS3
SCHEMBL7819612 0.86 F2 (0.51) F2PRSS1PRSS2PRSS3SETDB1
SCHEMBL7817408 0.85 F2 (0.43) F2PRSS1PRSS2PRSS3SETDB1
SCHEMBL7817688 0.85 F2 (0.43) F2PRSS1PRSS2PRSS3SETDB1
SCHEMBL7818083 0.85 F2 (0.41) F2PRSS1PRSS2PRSS3
SCHEMBL7818678 0.84 F2 (0.38) F2PRSS1PRSS2PRSS3MAPK1
SCHEMBL7404468 0.84 F2 (0.38) F2PRSS1PRSS2PRSS3MAPK1

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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