SCHEMBL7046592

SCHEMBL7046592

CN(C(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1)N1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.61
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
MAPK13 O15264 1/20 0.38
GCGR P47871 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
BRAF P15056 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL7042652 0.79 ALDH1A1 (0.42) CNR1PTGS2MAPK13MAPK12MAPK11
SCHEMBL7043396 0.79 CNR1 (0.61) CNR1PTGS1PTGS2
SCHEMBL7044568 0.79 CNR1 (0.48) CNR1CNR2
SCHEMBL7046182 0.78 PIN1 (0.42)
SCHEMBL7046157 0.77 CNR1 (0.49) CNR1PTGS1PTGS2MAPK13GCGR
SCHEMBL4076039 0.76 CNR1 (1.00) CNR1CNR2
SCHEMBL5268736 0.72 CNR1 (0.58) CNR1PTGS1PTGS2MAPK13GCGR
SCHEMBL7046455 0.71 KDM4E (0.46) CNR1GCGR
SCHEMBL4076020 0.69 CNR1 (1.00) CNR1
SCHEMBL7044620 0.69 KDM4E (0.49) CNR1MAPK13GCGRMAPK12MAPK11

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