SCHEMBL7044676

SCHEMBL7044676

CN(C(=O)c1nc(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)[nH]1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.54
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
GPBAR1 Q8TDU6 3/20 0.41
POLB P06746 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
RAB9A P51151 1/20 0.39
BACE1 P56817 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7044597 0.90 CNR1 (0.63) CNR1NPC1RAB9A
SCHEMBL6552429 0.90 CNR1 (0.63) CNR1NPC1RAB9A
SCHEMBL7044215 0.89 CNR1 (0.61) CNR1NPC1RAB9A
SCHEMBL7043396 0.88 CNR1 (0.61) CNR1LMNAHTTALDH1A1HPGD
SCHEMBL7044204 0.82 CNR1 (0.58) CNR1LMNAHTTALDH1A1HPGD
SCHEMBL7043234 0.82 CNR1 (0.60) CNR1HPGDTSHRNPC1RAB9A
SCHEMBL7046176 0.82 NPC1 (0.51) CNR1LMNAHTTALDH1A1HPGD
SCHEMBL7045588 0.81 CNR1 (0.52) CNR1PDE4APDE4BPDE4CPDE4D
SCHEMBL7041060 0.81 CNR1 (0.52) CNR1PDE4APDE4BPDE4CPDE4D
SCHEMBL7046436 0.80 CNR1 (0.52) CNR1

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