SCHEMBL6533838

SCHEMBL6533838

CCOC(=O)c1cn(-c2ccc(Cl)cc2)[13c](-c2ccccc2Cl)n1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 10/20 0.72
GABRB2 P47870 10/20 0.72
PTGS2 P35354 1/20 0.62
CNR1 P21554 9/20 0.58
CNR2 P34972 5/20 0.57

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
SCHEMBL5336123 1.00 GABRA2 (0.72) GABRA2GABRB2PTGS2CNR1CNR2
SCHEMBL3572659 0.91 GABRA2 (0.60) GABRA2GABRB2PTGS2CNR1CNR2
SCHEMBL6336459 0.91 GABRA2 (0.69) GABRA2GABRB2PTGS2CNR1CNR2
SCHEMBL1437318 0.89 GABRA2 (0.76) GABRA2GABRB2PTGS2
SCHEMBL4479830 0.88 GABRA2 (0.72) GABRA2GABRB2PTGS2CNR1CNR2
SCHEMBL6332585 0.84 GABRA2 (0.69) GABRA2GABRB2PTGS2CNR1CNR2
SCHEMBL6335259 0.83 CNR1 (0.55) GABRA2GABRB2CNR1CNR2
SCHEMBL6334591 0.83 CNR1 (0.64) CNR1CNR2
SCHEMBL6335073 0.83 CNR1 (0.64) GABRA2GABRB2CNR1CNR2
SCHEMBL4512242 0.82 GABRA2 (0.68) GABRA2GABRB2PTGS2CNR1CNR2

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-2005061504-A1 BICYCLIC PYRIDAZINONE CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2005-07-07 WO disclosed