SCHEMBL21363560

SCHEMBL21363560

CCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CCC(CO)=C[C@H]21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 1.00
CNR1 P21554 12/20 1.00
TRPM8 Q7Z2W7 2/20 0.77
GPR55 Q9Y2T6 2/20 0.77
TRPV6 Q9H1D0 2/20 0.77
TRPA1 O75762 1/20 0.77
HTR1A P08908 1/20 0.77
TRPV1 Q8NER1 1/20 0.77
TRPV3 Q8NET8 1/20 0.77
TRPV4 Q9HBA0 1/20 0.77
TRPV5 Q9NQA5 1/20 0.77
TRPV2 Q9Y5S1 1/20 0.77
ABHD12 Q8N2K0 3/20 0.66
ABHD6 Q9BV23 3/20 0.66
DRD3 P35462 2/20 0.66
FAAH O00519 2/20 0.66
NR1I2 O75469 1/20 0.66
LDHA P00338 1/20 0.66
GLRA1 P23415 1/20 0.66
GPR183 P32249 1/20 0.66

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
SCHEMBL31544941 1.00 CNR2 (1.00) CNR2CNR1TRPM8GPR55TRPV6
SCHEMBL20763972 1.00 CNR2 (1.00) CNR2CNR1TRPM8GPR55TRPV6
SCHEMBL22095410 1.00 CNR2 (1.00) CNR2CNR1TRPM8GPR55TRPV6
SCHEMBL31544994 1.00 CNR2 (1.00) CNR2CNR1TRPM8GPR55TRPV6
SCHEMBL23415525 0.93 CNR2 (0.86) CNR2CNR1TRPM8GPR55TRPV6
SCHEMBL21363770 0.93 CNR2 (0.86) CNR2CNR1TRPM8GPR55TRPV6
SCHEMBL997050 0.93 CNR2 (0.86) CNR2CNR1TRPM8GPR55TRPV6
SCHEMBL31546115 0.93 CNR2 (0.86) CNR2CNR1TRPM8GPR55TRPV6
SCHEMBL20763968 0.93 CNR2 (0.86) CNR2CNR1TRPM8GPR55TRPV6
SCHEMBL31544857 0.91 CNR2 (0.83) CNR2CNR1TRPM8GPR55TRPV6

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
WO-2019175290-A1 CANNABIS OR CANNABIS DERIVED COMPOSITIONS FOR PROMOTING CESSATION OF CHEMICAL DEPENDENCE BECKLEY CANOPY THERAPEUTICS LIMITED (GB) 2019-09-19 WO disclosed