SCHEMBL7045705

SCHEMBL7045705

CCOC(=O)c1nc(-c2ccc(Cl)cc2)c(CCc2ccc(Cl)cc2Cl)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 6/20 0.46
GABRB2 P47870 6/20 0.46
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
ALPL P05186 1/20 0.44
ALOX15 P16050 2/20 0.43
GCGR P47871 1/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
TARBP2 Q15633 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CDC7 O00311 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
SCHEMBL7044617 0.92 GABRA2 (0.47) GABRA2GABRB2SIRT2SIRT1SIRT3
SCHEMBL7041804 0.81 ALOX15 (0.47) GABRA2GABRB2ALOX15MAPTGAA
SCHEMBL7041235 0.78 CNR1 (0.55) ALOX15TSHRHSD17B10
SCHEMBL6553466 0.77 ALOX5 (0.51) GABRA2GABRB2SIRT2SIRT1SIRT3
SCHEMBL7044707 0.74 ALOX5 (0.52) GABRA2GABRB2ALOX15MAPTNPC1
SCHEMBL7044693 0.74 CNR1 (0.64)
SCHEMBL7048167 0.74 CNR1 (0.64)
SCHEMBL7041750 0.73 CNR1 (0.44) ALPLNPC1TSHR
SCHEMBL7046402 0.72 CNR1 (0.55) ALOX15TSHRHSD17B10
SCHEMBL1149801 0.69 DAO (0.48) GABRA2GABRB2ALPLALOX15MAPT

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