SCHEMBL7044568

SCHEMBL7044568

CN(C(=O)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)[nH]1)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.48
ALPL P05186 1/20 0.41
CNR2 P34972 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7046436 0.83 CNR1 (0.52) CNR1CNR2
SCHEMBL7044435 0.79 CNR1 (0.49) CNR1ALPLCNR2
SCHEMBL7042652 0.79 ALDH1A1 (0.42) CNR1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7046592 0.79 CNR1 (0.61) CNR1CNR2
SCHEMBL7044215 0.78 CNR1 (0.61) CNR1NPC1RAB9A
SCHEMBL7046182 0.78 PIN1 (0.42) SMN1; SMN2TP53HPGDMEN1KMT2A
SCHEMBL6552039 0.78 CNR1 (0.47) CNR1CNR2SMN1; SMN2NPC1RAB9A
SCHEMBL7044597 0.77 CNR1 (0.63) CNR1NPC1RAB9A
SCHEMBL6552429 0.77 CNR1 (0.63) CNR1NPC1RAB9A
SCHEMBL7041731 0.77 CNR1 (0.47) CNR1ALPLCNR2

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