SCHEMBL13617457

SCHEMBL13617457

CCCCn1c2c(cc(C(=O)N(C)C(C)(C)c3ccccc3)c1=O)COCC2

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.62
CNR1 P21554 11/20 0.54
PGR P06401 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
PDE1A P54750 2/20 0.33
PDE1B Q01064 2/20 0.33
PDE1C Q14123 2/20 0.33
PDE4D Q08499 1/20 0.33
TACR1 P25103 1/20 0.33

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
SCHEMBL2736765 0.84 CNR2 (0.75) CNR2CNR1
SCHEMBL2736761 0.75 CNR2 (0.71) CNR2CNR1
SCHEMBL2736768 0.70 CNR2 (0.76) CNR2CNR1
SCHEMBL13531312 0.70 CNR2 (1.00) CNR2CNR1
SCHEMBL2736590 0.69 CNR2 (0.67) CNR2CNR1
SCHEMBL5515473 0.68 CNR2 (0.61) CNR2CNR1
SCHEMBL2746153 0.68 CNR2 (0.61) CNR2CNR1
SCHEMBL14865324 0.67 CNR2 (0.74) CNR2CNR1
SCHEMBL2736764 0.67 CNR2 (0.61) CNR2CNR1
SCHEMBL2736733 0.65 CNR2 (0.57) 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
EP-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed