SCHEMBL8418974

SCHEMBL8418974

CCCNC1C(=O)NC=C(C)[N+]1(c1cccnc1)c1cc(CNC(C)=O)c(C)nc1N

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PIK3CD O00329 1/20 0.30

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
SCHEMBL8420334 0.84 TGFBR1 (0.32) —
SCHEMBL8418912 0.80 HTT (0.31) F2PRSS1PIK3CD
SCHEMBL8418937 0.71 — —
SCHEMBL8422341 0.63 MAPT (0.33) —
SCHEMBL8422340 0.60 MEN1 (0.35) F2PRSS1
SCHEMBL7819433 0.58 F2 (0.62) F2PRSS1PIK3CD
SCHEMBL23279842 0.54 F2 (0.53) F2PRSS1
SCHEMBL7819612 0.54 F2 (0.51) F2PRSS1
SCHEMBL45843 0.54 RECQL (0.70) —
SCHEMBL14960629 0.53 SOST (0.54) —

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
US-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 — — US disclosed
Send feedback