SCHEMBL7041005

SCHEMBL7041005

Cc1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2Cl)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
DPP4 P27487 4/20 0.42
CRHR1 P34998 8/20 0.42
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 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
SCHEMBL7046189 0.89 HSD11B1 (0.47) HSD11B1ALDH1A1HSP90AA1HSP90AB1DPP4
SCHEMBL6552000 0.89 CNR1 (0.47) HSD11B1ALDH1A1DPP4HPGD
SCHEMBL3949786 0.83 GUSB (0.43) HSD11B1ALDH1A1HSP90AA1HSP90AB1DPP4
SCHEMBL6775223 0.82 CRHR1 (0.42) HSD11B1ALDH1A1HSP90AA1HSP90AB1DPP4
SCHEMBL6776302 0.75 CRHR1 (0.45) DPP4CRHR1
SCHEMBL27570902 0.74 HSP90AB1 (0.47) HSP90AA1HSP90AB1DPP4CRHR1HTT
SCHEMBL4973922 0.74 CRHR1 (0.37) HSD11B1ALDH1A1HSP90AA1HSP90AB1DPP4
SCHEMBL29098442 0.73 GUSB (0.51) HSD11B1HSP90AA1HSP90AB1DPP4CRHR1
SCHEMBL7040999 0.73 CRHR1 (0.44) DPP4CRHR1
SCHEMBL7578666 0.71 HSD11B1 (0.50) HSD11B1ALDH1A1HSP90AA1HSP90AB1DPP4

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 disclosed