SCHEMBL7046441

SCHEMBL7046441

O=C(NC1CCOCC1)c1nc(-c2ccc(Cl)cc2Cl)c(Cc2ccc(Cl)cc2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.47
DPP4 P27487 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CNR2 P34972 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL7044217 0.91 CNR1 (0.57) CNR1NPC1RAB9ACNR2
SCHEMBL6552432 0.90 CNR1 (0.57) CNR1NPC1RAB9ACNR2
SCHEMBL7045579 0.90 CNR1 (0.57) CNR1NPC1RAB9ACNR2
SCHEMBL7041065 0.89 CNR1 (0.52) CNR1CNR2
SCHEMBL7046412 0.87 CNR1 (0.46) CNR1CNR2
SCHEMBL7041796 0.85 CNR1 (0.43) CNR1NPC1RAB9ACNR2
SCHEMBL7044571 0.83 CNR1 (0.55) CNR1CNR2
SCHEMBL7043527 0.83 CNR1 (0.44) CNR1CNR2
SCHEMBL6081479 0.82 CNR1 (0.52) CNR1CNR2
SCHEMBL7043337 0.82 CNR1 (0.56) CNR1NPC1RAB9ACNR2

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