SCHEMBL7046402

SCHEMBL7046402

CCCCCCNC(=O)c1nc(-c2ccc(Cl)cc2)c(Cc2ccc(Cl)cc2Cl)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.55
CNR2 P34972 5/20 0.47
ALOX15 P16050 2/20 0.47
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL7041235 0.92 CNR1 (0.55) CNR1CNR2ALOX15KDM4EALDH1A1
SCHEMBL7041732 0.82 CNR1 (0.58) CNR1CNR2ALOX15
SCHEMBL7041750 0.81 CNR1 (0.44) CNR1CNR2KDM4EALDH1A1TSHR
SCHEMBL4080283 0.80 CNR1 (0.58) CNR1CNR2ALOX15KDM4EALDH1A1
SCHEMBL7044617 0.79 GABRA2 (0.47) ALOX15TSHRHSD17B10
SCHEMBL7043236 0.78 CNR1 (0.64) CNR1
SCHEMBL7046420 0.76 CNR1 (0.64) CNR1CNR2
SCHEMBL7046457 0.75 ALOX15 (0.48) CNR1ALOX15HPGD
SCHEMBL7044437 0.74 CNR1 (0.55) CNR1CNR2ALOX15
SCHEMBL7045705 0.72 GABRA2 (0.46) ALOX15TSHRHSD17B10

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 2 patents. 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 claimed
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO disclosed