SCHEMBL9808010

SCHEMBL9808010

COc1ccc(C(=O)c2c(C)n(CC3CN(C)CCO3)c3ccccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.64
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
CNR2 P34972 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
Hydrochloric Acid SCHEMBL8532471 0.99 CNR1 (0.63) CNR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL9691513 0.85 CNR1 (0.65) CNR1
SCHEMBL9302317 0.85 CNR1 (0.62) CNR1CNR2
SCHEMBL9302768 0.83 CNR1 (0.60) CNR1
SCHEMBL9812190 0.82 CNR1 (0.59) CNR1CNR2
SCHEMBL8530482 0.80 CNR1 (0.69) CNR1
SCHEMBL9301997 0.79 CNR1 (0.62) CNR1
Pravadoline SCHEMBL30353006 0.79 CNR1 (1.00) CNR1ALDH1A1TP53CYP1A2CYP3A4
Pravadoline SCHEMBL488940 0.79 CNR1 (1.00) CNR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL8534364 0.78 CNR1 (0.58) CNR1CNR2

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-5068234-A Analgesics, rheumatic diseases, antiinflammatory agents or antiglaucoma STERLING DRUG INC. (US) 1991-11-26 US claimed