SCHEMBL7817562

SCHEMBL7817562

CC[C@H](C)CNc1ncc(C)n(-c2cc(CNC(C)=O)c(C)nc2N)c1=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 18/20 0.44
▸ PRSS1 P07477 13/20 0.44
▸ PRSS2 P07478 3/20 0.38
▸ PRSS3 P35030 3/20 0.38
▸ MASP2 O00187 1/20 0.34
▸ SETDB1 Q15047 1/20 0.32

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 0.86 F2 (0.61) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL8420322 0.86 F2 (0.61) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7817408 0.86 F2 (0.43) F2PRSS1PRSS2PRSS3SETDB1
SCHEMBL7817428 0.83 F2 (0.52) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7824021 0.83 F2 (0.39) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7819612 0.83 F2 (0.51) F2PRSS1PRSS2PRSS3SETDB1
SCHEMBL7817688 0.82 F2 (0.43) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7819771 0.81 F2 (0.41) F2PRSS1PRSS2PRSS3SETDB1
SCHEMBL7817160 0.81 F2 (0.41) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7811676 0.81 F2 (0.52) 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 1 patent. 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
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