SCHEMBL7995908

SCHEMBL7995908

O=C(O)[C@@H]1CCc2cnc(NCCc3ccccc3)c(=O)n21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.48
PREP P48147 1/20 0.45
PRSS1 P07477 4/20 0.43
MAPK14 Q16539 1/20 0.43
F7 P08709 2/20 0.42
F3 P13726 2/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 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
SCHEMBL31486475 0.89 PREP (0.43) F2PREPMAPK14
SCHEMBL6740598 0.87 F2 (0.46) F2PRSS1
SCHEMBL6734250 0.82 F2 (0.44) F2PRSS1PRSS2PRSS3
SCHEMBL31486336 0.82 AOC3 (0.42) PREPMAPK14
SCHEMBL6073947 0.81 ACE (0.35) F2PREPF7F3
SCHEMBL31565033 0.80 NPFFR1 (0.37) F2PREP
SCHEMBL31486227 0.79 JAK3 (0.43) PREP
SCHEMBL6991514 0.79 F2 (0.64) F2PRSS1PRSS2PRSS3
SCHEMBL6994201 0.79 F2 (0.64) F2PRSS1PRSS2PRSS3
SCHEMBL6997888 0.79 F2 (0.64) 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-6277851-B1 ORALLY ADMINISTERED TRYPSIN-RELATED SERINE PROTEASE INHIBITORS; ANTICOAGULANTS ADIR ET COMPAGNIE (FR) 2001-08-21 US disclosed