SCHEMBL6738663

SCHEMBL6738663

O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCc2cnc(NCCc3ccccn3)c(=O)n21

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.49
PRSS1 P07477 2/20 0.39

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
SCHEMBL6738115 0.90 F2 (0.49) F2PRSS1
SCHEMBL6733337 0.89 F2 (0.58) F2PRSS1
SCHEMBL6735050 0.86 F2 (0.42) F2PRSS1
SCHEMBL6739800 0.82 F2 (0.49) F2PRSS1
SCHEMBL6733639 0.82 F2 (0.45) F2PRSS1
SCHEMBL6733644 0.82 F2 (0.45) F2PRSS1
SCHEMBL6990916 0.80 F2 (0.63) F2PRSS1
Hydrochloric Acid SCHEMBL7990650 0.79 F2 (0.62) F2PRSS1
SCHEMBL6740598 0.79 F2 (0.46) F2PRSS1
SCHEMBL6733312 0.79 F2 (0.46) F2PRSS1

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-6686358-B2 ANTICOAGULANTS; CARDOVISCULAR DISORDERS LES LABORATOIRES SERVIER (FR) 2004-02-03 US disclosed