SCHEMBL27673281

SCHEMBL27673281

C=CCOc1cn(Cc2ccc(C(=O)OC)cc2OC)c2cc(NC(=O)CC3CCCC3)ccc12

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 11/20 0.54
CYSLTR1 Q9Y271 11/20 0.54
NAMPT P43490 1/20 0.44

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
SCHEMBL9479233 0.86 CYSLTR2 (0.60) CYSLTR2CYSLTR1NAMPT
SCHEMBL8951628 0.85 CYSLTR2 (0.51) CYSLTR2CYSLTR1NAMPT
SCHEMBL9479293 0.83 CYSLTR2 (0.56) CYSLTR2CYSLTR1NAMPT
SCHEMBL8951252 0.81 CYSLTR2 (0.51) CYSLTR2CYSLTR1NAMPT
SCHEMBL8951100 0.80 CYSLTR2 (0.53) CYSLTR2CYSLTR1NAMPT
SCHEMBL8998286 0.80 EPHX2 (0.56) CYSLTR2CYSLTR1NAMPT
SCHEMBL10368401 0.80 CYSLTR2 (0.69) CYSLTR2CYSLTR1
SCHEMBL8951163 0.78 CYSLTR2 (0.56) CYSLTR2CYSLTR1NAMPT
SCHEMBL8901046 0.76 CYSLTR2 (0.64) CYSLTR2CYSLTR1
SCHEMBL8951192 0.76 CYSLTR2 (0.57) CYSLTR2CYSLTR1NAMPT

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
CN-86103278-A The method for preparing heterocyclic amide derivative 1986-12-17 CN disclosed