SCHEMBL28072744

SCHEMBL28072744

CCCCCn1cc(C(=O)O)c2cccnc21

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.69
CNR1 P21554 16/20 0.69
CFTR P13569 1/20 0.51

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
SCHEMBL9171932 0.96 CNR2 (0.64) CNR2CNR1
SCHEMBL28437013 0.88 CNR2 (0.68) CNR2CNR1CFTR
SCHEMBL8692020 0.85 CNR1 (0.50) CNR2CNR1
SCHEMBL2050633 0.82 CNR1 (0.69) CNR2CNR1
SCHEMBL13204122 0.80 CNR2 (0.60) CNR2CNR1CFTR
SCHEMBL28049762 0.80 CNR1 (0.58) CNR2CNR1
SCHEMBL7396445 0.79 CNR1 (0.49) CNR2CNR1
SCHEMBL5449409 0.78 CNR2 (0.56) CNR2CNR1
SCHEMBL19675321 0.78 HTR3A (0.48) CNR2CNR1
SCHEMBL31052987 0.78 CNR2 (0.74) CNR2CNR1

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-105980383-A Azaindole derivatives 大鹏药品工业株式会社 2016-09-28 CN disclosed