SCHEMBL23765308

SCHEMBL23765308

CCCCc1cc(O)c([C@@H]2C=C(C)CC[C@]23N=C3C)c(OC(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.39
OPRM1 P35372 3/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL23765310 0.81 BCHE (0.42) BCHEOPRM1CNR2CNR1
SCHEMBL23765307 0.81 CNR1 (0.39) BCHECNR2CNR1
SCHEMBL23765216 0.79 CNR2 (0.50) OPRM1CNR2CNR1ACE2
SCHEMBL23765221 0.78 BCHE (0.63) BCHEOPRM1CNR2CNR1
SCHEMBL21756193 0.76 CNR2 (0.51) OPRM1CNR2CNR1ACE2
SCHEMBL23765328 0.72 CNR2 (0.59) CNR2CNR1
SCHEMBL23765261 0.70 ACE2 (0.41) BCHEOPRM1ACE2
SCHEMBL23765260 0.70 CNR2 (0.61) CNR2CNR1
SCHEMBL25268322 0.70 CNR2 (0.61) CNR2CNR1
SCHEMBL22946285 0.70 CNR2 (0.61) CNR2CNR1

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-2021163023-A1 STABLE FORMULATIONS OF DRONABINOL TRYAGx Labs Inc. (US) 2021-08-19 WO disclosed