SCHEMBL15827166

SCHEMBL15827166

CCCc1cc(N=O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.71
CNR1 P21554 13/20 0.71
TRPA1 O75762 2/20 0.71
TRPV1 Q8NER1 2/20 0.71
TRPV3 Q8NET8 2/20 0.71
TRPV4 Q9HBA0 2/20 0.71
TRPV2 Q9Y5S1 2/20 0.71
CYP1A1 P04798 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2A6 P11509 1/20 0.60
CYP2B6 P20813 1/20 0.60
SLC6A2 P23975 1/20 0.60
HTR2A P28223 1/20 0.60
SLC6A4 P31645 1/20 0.60
OPRM1 P35372 1/20 0.60
CYP2J2 P51589 1/20 0.60
CYP1B1 Q16678 1/20 0.60
PPARG P37231 1/20 0.41

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
SCHEMBL24556015 0.92 CNR2 (0.72) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL19454966 0.84 CNR2 (0.79) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL2671595 0.83 CNR2 (1.00) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL29360929 0.83 CNR2 (1.00) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL19454953 0.79 CNR2 (0.71) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL31103589 0.79 CNR2 (0.70) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL29330752 0.79 CNR2 (0.70) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL22791853 0.76 CNR2 (0.67) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL13214136 0.76 CNR2 (0.93) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL16082002 0.76 CNR2 (0.80) CNR2CNR1TRPA1TRPV1TRPV3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020028897-A1 CONSTRUCT OF β-CYCLODEXTRIN AND CANNABINOID GUEST COMPLEX AND PROCESSES FOR PRODUCING A PASTE COMPRISING THE SAME LILU'S GARDEN, LTD. (US) 2020-02-06 WO disclosed
WO-2019171170-A1 DEVICE AND METHOD FOR ADMINISTERING AN ACTIVE INGREDIENT CANOPY GROWTH CORPORATION (CA) 2019-09-12 WO disclosed
US-8758826-B2 Cannabinoid receptor binding agents, compositions, and methods WET INC. (US) 2014-06-24 US disclosed