SCHEMBL7043322

SCHEMBL7043322

COC(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.61
OPRL1 P41146 3/20 0.50

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
SCHEMBL6552035 0.78 CNR1 (0.56) CNR1OPRL1
SCHEMBL674885 0.76 CNR1 (1.00) CNR1OPRL1
SCHEMBL4076187 0.74 CNR1 (0.86) CNR1OPRL1
SCHEMBL7044441 0.73 CNR1 (0.85) CNR1OPRL1
SCHEMBL4079667 0.72 CNR1 (0.69) CNR1OPRL1
SCHEMBL7044616 0.72 CNR1 (0.66) CNR1OPRL1
SCHEMBL4076015 0.71 CNR1 (1.00) CNR1
SCHEMBL4427351 0.70 CNR1 (0.66) CNR1OPRL1
SCHEMBL4079314 0.70 CNR1 (1.00) CNR1OPRL1
SCHEMBL675796 0.70 CNR1 (1.00) CNR1OPRL1

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
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO claimed
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO disclosed