SCHEMBL7044680

SCHEMBL7044680

O=C(NC1CCCCC1)c1nc(-c2ccccc2Cl)c(Cc2ccc(Cl)cc2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.56
CNR2 P34972 1/20 0.50
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.45
EPHX1 P07099 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
SCHEMBL6552432 0.90 CNR1 (0.57) CNR1CNR2NPC1RAB9A
SCHEMBL7045579 0.90 CNR1 (0.57) CNR1CNR2NPC1RAB9A
SCHEMBL7044217 0.89 CNR1 (0.57) CNR1CNR2NPC1RAB9A
SCHEMBL7043397 0.83 CNR1 (0.58) CNR1CNR2KMT2AALDH1A1HPGD
SCHEMBL7045706 0.82 CNR1 (0.56) CNR1CNR2
SCHEMBL7043337 0.82 CNR1 (0.56) CNR1CNR2NPC1RAB9A
SCHEMBL7041065 0.81 CNR1 (0.52) CNR1CNR2
SCHEMBL7046441 0.81 CNR1 (0.47) CNR1CNR2NPC1RAB9A
SCHEMBL7043451 0.80 CNR1 (0.55) CNR1CNR2NPC1RAB9A
SCHEMBL7046412 0.79 CNR1 (0.46) CNR1CNR2

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