SCHEMBL7819643

SCHEMBL7819643

CC(=O)NCc1cc(-n2c(C)cnc(NCCN3CCOCC3)c2=O)c(N)nc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 7/20 0.40
▸ PRSS1 P07477 5/20 0.39
▸ PRSS2 P07478 2/20 0.39
▸ PRSS3 P35030 2/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ FYN P06241 1/20 0.36

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
SCHEMBL7817160 0.83 F2 (0.41) F2PRSS1PRSS2PRSS3
SCHEMBL7818083 0.82 F2 (0.41) F2PRSS1PRSS2PRSS3
SCHEMBL7824021 0.81 F2 (0.39) F2PRSS1PRSS2PRSS3
SCHEMBL7819625 0.81 F2 (0.41) F2PRSS1PRSS2PRSS3
SCHEMBL7811676 0.81 F2 (0.52) F2PRSS1PRSS2PRSS3
SCHEMBL7809378 0.80 F2 (0.44) F2PRSS1PRSS2PRSS3
SCHEMBL7825524 0.80 F2 (0.60) F2PRSS1PRSS2PRSS3
SCHEMBL7819771 0.80 F2 (0.41) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL7819935 0.80 F2 (0.46) F2PRSS1PRSS2PRSS3
SCHEMBL7818207 0.79 F2 (0.47) 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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