SCHEMBL9769972

SCHEMBL9769972

COc1ccc(C(=O)c2c(C(=O)c3ccccc3)n(CCN3CCOCC3)c3ccccc23)cc1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.82
ALDH1A1 P00352 1/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
TSHR P16473 1/20 0.62
CNR2 P34972 1/20 0.62
RECQL P46063 1/20 0.62
TDP1 Q9NUW8 1/20 0.62

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
Pravadoline SCHEMBL488940 0.90 CNR1 (1.00) CNR1ALDH1A1TP53CYP1A2CYP3A4
Pravadoline SCHEMBL30353006 0.90 CNR1 (1.00) CNR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL9035973 0.89 CNR1 (0.82) CNR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL9036451 0.88 CNR1 (0.81) CNR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL9691455 0.87 CNR1 (0.75) CNR1ALDH1A1TP53CYP1A2CYP3A4
Pravadoline SCHEMBL30457811 0.87 CNR1 (0.89) CNR1ALDH1A1TP53CYP1A2CYP3A4
Pravadoline SCHEMBL121663 0.87 CNR1 (0.89) CNR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL10666370 0.83 CNR1 (0.79) CNR1CNR2
SCHEMBL9037083 0.80 CNR1 (0.81) CNR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL9690687 0.80 CNR1 (0.76) CNR1

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-5013732-A Analgesics STERLING DRUG INC. (US) 1991-05-07 US disclosed