SCHEMBL7220542

SCHEMBL7220542

CCNc1ncc(C)n(CC(=O)O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.47
PRSS1 P07477 7/20 0.44
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42

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
SCHEMBL7411110 0.85 F2 (0.47) F2PRSS1PRSS2PRSS3
SCHEMBL7819200 0.84 F2 (0.46) F2PRSS1PRSS2PRSS3
SCHEMBL7139240 0.84 F2 (0.44) F2PRSS1PRSS2PRSS3
SCHEMBL7809549 0.81 F2 (0.45) F2PRSS1
SCHEMBL3238624 0.80 F2 (0.70) F2PRSS1PRSS2PRSS3
SCHEMBL5885528 0.79 F2 (0.60) F2PRSS1PRSS2PRSS3
SCHEMBL7808994 0.79 F2 (0.74) F2PRSS1PRSS2PRSS3
SCHEMBL8188271 0.79 F2 (0.50) F2PRSS1PRSS2PRSS3
SCHEMBL7405827 0.78 F2 (0.54) F2PRSS1PRSS2PRSS3
SCHEMBL4904924 0.78 F2 (0.67) 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-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 US disclosed