SCHEMBL26239648

SCHEMBL26239648

COc1ccc2c(C(=O)c3c(C)n4c5c(cccc35)OC[C@H]4CN3CCOCC3)cccc2c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.80
CNR1 P21554 7/20 0.80
ALDH1A1 P00352 3/20 0.80
MAPT P10636 1/20 0.80
NPC1 O15118 1/20 0.80
MTOR P42345 1/20 0.80
RAB9A P51151 1/20 0.80
CYP3A4 P08684 2/20 0.74
CYP2C9 P11712 2/20 0.74
RGS12 O14924 1/20 0.74
GMNN O75496 1/20 0.74
LMNA P02545 1/20 0.74
TP53 P04637 1/20 0.74
CYP2D6 P10635 1/20 0.74
ALOX15 P16050 1/20 0.74
NFKB1 P19838 1/20 0.74
MAPK1 P28482 1/20 0.74
CYP2C19 P33261 1/20 0.74
THPO P40225 1/20 0.74
BLM P54132 1/20 0.74

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
Win-552122 SCHEMBL29361053 0.89 CNR1 (1.00) CNR2CNR1ALDH1A1MAPTNPC1
Win-552122 SCHEMBL3680086 0.89 CNR1 (1.00) CNR2CNR1ALDH1A1MAPTNPC1
Win-552122 SCHEMBL29381882 0.89 CNR1 (1.00) CNR2CNR1ALDH1A1MAPTNPC1
Win-552122 SCHEMBL29410177 0.89 CNR1 (1.00) CNR2CNR1ALDH1A1MAPTNPC1
Win-552122 SCHEMBL118531 0.89 CNR1 (1.00) CNR2CNR1ALDH1A1MAPTNPC1
Win-552122 SCHEMBL10093015 0.89 CNR1 (1.00) CNR2CNR1ALDH1A1MAPTNPC1
Win-552122 SCHEMBL29611661 0.89 CNR1 (1.00) CNR2CNR1ALDH1A1MAPTNPC1
SCHEMBL25435202 0.88 CNR1 (0.71) CNR2CNR1ALDH1A1MAPTNPC1
SCHEMBL30571232 0.88 CNR1 (0.71) CNR2CNR1ALDH1A1MAPTNPC1
SCHEMBL9701630 0.88 CNR1 (0.84) CNR2CNR1ALDH1A1MAPTNPC1

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-2023168296-A2 CB1 LIGAND CONJUGATED COMPOUNDS AND USES THEREOF ADARX PHARMACEUTICALS, INC. (US) 2023-09-07 WO disclosed