SCHEMBL7044597

SCHEMBL7044597

CN(C(=O)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)[nH]1)C1CCCCCC1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 0.63
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL6552429 1.00 CNR1 (0.63) CNR1NPC1RAB9A
SCHEMBL7044215 0.99 CNR1 (0.61) CNR1NPC1RAB9A
SCHEMBL7044204 0.93 CNR1 (0.58) CNR1NPC1RAB9A
SCHEMBL7043234 0.92 CNR1 (0.60) CNR1NPC1RAB9A
SCHEMBL7045588 0.91 CNR1 (0.52) CNR1
SCHEMBL7041060 0.91 CNR1 (0.52) CNR1
SCHEMBL7046436 0.90 CNR1 (0.52) CNR1
SCHEMBL7044676 0.90 CNR1 (0.54) CNR1NPC1RAB9A
SCHEMBL7046409 0.89 CNR1 (0.50) CNR1
SCHEMBL7043396 0.88 CNR1 (0.61) CNR1NPC1RAB9A

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