SCHEMBL13944779

SCHEMBL13944779

C=C(c1ccc2c(c1)c1c(n2C)CCC(C2CCOCC2)C1)N1CC[C@@H](C(=O)NC2CC2)C1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.61
CNR2 P34972 4/20 0.60
CYP2C9 P11712 1/20 0.53

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
SCHEMBL2019855 0.92 CNR1 (0.62) CNR1CNR2CYP2C9
SCHEMBL2016357 0.92 CNR1 (0.62) CNR1CNR2CYP2C9
SCHEMBL2018330 0.92 CNR1 (0.62) CNR1CNR2CYP2C9
SCHEMBL2023652 0.89 CNR1 (0.64) CNR1CNR2CYP2C9
SCHEMBL2016617 0.88 CNR1 (0.65) CNR1CNR2CYP2C9
SCHEMBL2021213 0.87 CNR1 (0.60) CNR1CNR2CYP2C9
SCHEMBL2015727 0.87 CNR1 (0.60) CNR1CNR2CYP2C9
SCHEMBL2020583 0.85 CNR1 (0.62) CNR1CNR2CYP2C9
SCHEMBL2023546 0.84 CNR1 (0.58) CNR1CNR2CYP2C9
SCHEMBL2023472 0.82 CNR1 (0.61) CNR1CNR2CYP2C9

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-2009024819-A1 CANNABINOID RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed