SCHEMBL6552000

SCHEMBL6552000

Cc1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.47
CNR2 P34972 2/20 0.47
HSD11B1 P28845 2/20 0.47
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DPP4 P27487 2/20 0.46
TGFBR1 P36897 2/20 0.44
TGFBR2 P37173 2/20 0.44
ALDH1A1 P00352 1/20 0.41
GCGR P47871 1/20 0.41
MAPK14 Q16539 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
SCHEMBL7041005 0.89 HSD11B1 (0.45) HSD11B1HPGDDPP4ALDH1A1
SCHEMBL7046189 0.88 HSD11B1 (0.47) CNR1CNR2HSD11B1KDM4EHPGD
SCHEMBL7044594 0.82 DPP4 (0.47) CNR1CNR2DPP4
SCHEMBL7041734 0.82 KDM4E (0.67) CNR1KDM4EHPGDSMN1; SMN2TGFBR1
SCHEMBL6775223 0.78 CRHR1 (0.42) CNR1HSD11B1DPP4ALDH1A1
SCHEMBL13722556 0.76 CDC7 (0.46) CNR1CNR2DPP4MAPK14
SCHEMBL7044590 0.76 CNR1 (0.49) CNR1CNR2
SCHEMBL28588376 0.76 NPY5R (0.51) CNR1CNR2HSD11B1DPP4GCGR
SCHEMBL6552039 0.74 CNR1 (0.47) CNR1CNR2HPGDSMN1; SMN2ALDH1A1
SCHEMBL31346722 0.73 NPY5R (0.55) CNR1CNR2HSD11B1HPGDDPP4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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