SCHEMBL7046189

SCHEMBL7046189

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ TGFBR1 P36897 2/20 0.44
▸ TGFBR2 P37173 2/20 0.44
▸ CNR1 P21554 3/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ MAPK13 O15264 2/20 0.41
▸ GCGR P47871 2/20 0.41
▸ MAPK12 P53778 2/20 0.41
▸ MAPK11 Q15759 2/20 0.41
▸ MAPK14 Q16539 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 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
SCHEMBL7041005 0.89 HSD11B1 (0.45) HSD11B1HPGDALDH1A1DPP4HSP90AA1
SCHEMBL6552000 0.88 CNR1 (0.47) HSD11B1KDM4EHPGDSMN1; SMN2TGFBR1
SCHEMBL7041734 0.82 KDM4E (0.67) KDM4EHPGDSMN1; SMN2TGFBR1TGFBR2
SCHEMBL7040999 0.81 CRHR1 (0.44) CNR1CNR2MAPK13GCGRMAPK12
SCHEMBL31346722 0.76 NPY5R (0.55) HSD11B1HPGDCNR1CNR2DPP4
SCHEMBL5204729 0.73 NPY5R (0.54) KDM4EHPGDSMN1; SMN2CNR1MAPK13
SCHEMBL28588376 0.73 NPY5R (0.51) HSD11B1CNR1CNR2MAPK13GCGR
SCHEMBL7041748 0.73 CNR1 (0.47) CNR1CNR2
SCHEMBL6775223 0.72 CRHR1 (0.42) HSD11B1CNR1ALDH1A1DPP4HSP90AA1
SCHEMBL3949786 0.72 GUSB (0.43) HSD11B1HPGDMAPK13GCGRMAPK12

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
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