SCHEMBL6533942

SCHEMBL6533942

CC(C)C1CN(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2Cl)=N1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.39
CNR2 P34972 7/20 0.39
OPRL1 P41146 3/20 0.38
HSD11B1 P28845 2/20 0.37
CYP3A4 P08684 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4206413 0.76 CNR1 (0.39) CNR1CNR2HSD11B1CYP3A4DPP4
SCHEMBL6335025 0.75 CNR1 (0.41) CNR1CNR2
Lithium Ion SCHEMBL4220249 0.74 CNR1 (0.40) CNR1CNR2
SCHEMBL4220252 0.74 CNR1 (0.40) CNR1CNR2
SCHEMBL4212958 0.72 CNR1 (0.43) CNR1CNR2DPP4
SCHEMBL4215280 0.70 CNR1 (0.56) CNR1CNR2
SCHEMBL5008799 0.69 CNR1 (0.35) CNR1CNR2CYP3A4DPP4DPP8
SCHEMBL5008797 0.69 CNR1 (0.35) CNR1CNR2
SCHEMBL4359770 0.68 CNR1 (0.36) CNR1CNR2CYP3A4DPP4DPP8
SCHEMBL13928742 0.68 CNR1 (0.36) CNR1CNR2CYP3A4DPP4DPP8

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-2005061506-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2005-07-07 WO disclosed