SCHEMBL8188271

SCHEMBL8188271

Cc1cnc(NCCC2CCC2)c(=O)n1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.50
PRSS1 P07477 4/20 0.43
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41

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
SCHEMBL7220542 0.79 F2 (0.47) F2PRSS1PRSS2PRSS3
SCHEMBL7444854 0.78 TPSAB1 (0.43) F2PRSS1
SCHEMBL7411110 0.78 F2 (0.47) F2PRSS1PRSS2PRSS3
SCHEMBL7819546 0.77 F2 (0.41) F2
SCHEMBL3238624 0.76 F2 (0.70) F2PRSS1PRSS2PRSS3
SCHEMBL7026286 0.76 F2 (0.45) F2PRSS1PRSS2PRSS3
SCHEMBL5885528 0.75 F2 (0.60) F2PRSS1PRSS2PRSS3
SCHEMBL7459174 0.75 LMNA (0.48) F2PRSS1
SCHEMBL7809549 0.75 F2 (0.45) F2PRSS1
Hydrochloric Acid SCHEMBL7018692 0.75 F2 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6011038-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 2000-01-04 US disclosed