SCHEMBL7819680

SCHEMBL7819680

CC(=O)NCc1cc(-n2c(C)cnc(NC3CCCCC3)c2=O)c(N)nc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR2F2 P24468 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ S1PR2 O95136 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PPP1CA P62136 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ F2 P00734 15/20 0.38
▸ PRSS1 P07477 13/20 0.38
▸ PRSS2 P07478 2/20 0.38
▸ PRSS3 P35030 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SELP P16109 1/20 0.34
▸ TYRO3 Q06418 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
SCHEMBL7819771 0.96 F2 (0.41) NR2F2NPSR1F2PRSS1PRSS2
SCHEMBL7819896 0.87 F2 (0.39) F2PRSS1PRSS2PRSS3
SCHEMBL7818083 0.85 F2 (0.41) F2PRSS1PRSS2PRSS3
SCHEMBL7824021 0.85 F2 (0.39) F2PRSS1PRSS2PRSS3
SCHEMBL7818678 0.84 F2 (0.38) F2PRSS1PRSS2PRSS3MAPK1
SCHEMBL7404468 0.84 F2 (0.38) F2PRSS1PRSS2PRSS3MAPK1
SCHEMBL7817408 0.84 F2 (0.43) F2PRSS1PRSS2PRSS3
SCHEMBL7817160 0.83 F2 (0.41) F2PRSS1PRSS2PRSS3
SCHEMBL7819612 0.83 F2 (0.51) F2PRSS1PRSS2PRSS3
SCHEMBL7817688 0.82 F2 (0.43) 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 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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