SCHEMBL4436267

SCHEMBL4436267

Cc1c(C(=O)O)nc(-c2ccc(Cl)cc2Cl)n1-c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.52
CNR2 P34972 14/20 0.52
MARS1 P56192 2/20 0.50
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
HSD11B1 P28845 1/20 0.43

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
SCHEMBL674905 0.82 CNR1 (0.80) CNR1CNR2
SCHEMBL3680322 0.81 CNR1 (0.71) CNR1CNR2
SCHEMBL4604530 0.78 CNR1 (0.64) CNR1CNR2
SCHEMBL24231478 0.77 CNR1 (0.68) CNR1CNR2
SCHEMBL30961573 0.77 CNR1 (0.68) CNR1CNR2
SCHEMBL10153133 0.76 ALDH1A1 (0.48) CNR1CNR2
SCHEMBL3080647 0.76 CNR1 (0.74) CNR1CNR2
SCHEMBL4517281 0.75 CNR1 (0.69) CNR1CNR2
SCHEMBL1083616 0.75 ALDH1A1 (0.47) CNR1CNR2
SCHEMBL4516509 0.74 CNR1 (0.71) CNR1CNR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2026798-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS Solvay Pharmaceuticals GmbH (DE) 2009-02-25 EP disclosed
WO-2007125048-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-11-08 WO disclosed