SCHEMBL6552041

SCHEMBL6552041

O=C(Nc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)c(Cc2ccc(Cl)cc2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.56
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TMPRSS4 Q9NRS4 1/20 0.42
NHERF1 O14745 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PPARG P37231 1/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CTNNB1 P35222 1/20 0.40
TCF7L2 Q9NQB0 1/20 0.40

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
SCHEMBL7044437 0.81 CNR1 (0.55) CNR1L3MBTL1
SCHEMBL7044592 0.81 CDC7 (0.44) CNR1ALDH1A1MAPTDPP4DPP8
SCHEMBL7044217 0.80 CNR1 (0.57) CNR1RAB9A
SCHEMBL6552432 0.79 CNR1 (0.57) CNR1RAB9A
SCHEMBL7041732 0.79 CNR1 (0.58) CNR1
SCHEMBL7046434 0.79 CNR1 (0.57) CNR1
SCHEMBL7045579 0.79 CNR1 (0.57) CNR1RAB9A
SCHEMBL7041796 0.78 CNR1 (0.43) CNR1RAB9A
SCHEMBL6553466 0.78 ALOX5 (0.51) CNR1KMT2AALDH1A1LMNARAB9A
SCHEMBL7041065 0.77 CNR1 (0.52) CNR1

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 4 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
EP-1482794-A1 METHOD OF TREATMENT OR PREVENTION OF OBESITY Merck & Co., Inc. (US) 2004-12-08 EP disclosed
WO-2003075660-A1 METHOD OF TREATMENT OR PREVENTION OF OBESITY MERCK & CO., INC. (US) 2003-09-18 WO disclosed
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO disclosed