SCHEMBL7044205

SCHEMBL7044205

O=C(NC1CCCCC1)c1nc(Cc2ccc(Cl)cc2Cl)c(Cc2ccc(Cl)cc2Cl)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.52
HPGD P15428 4/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
ALPL P05186 1/20 0.47
ALPI P09923 1/20 0.47
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
TSHR P16473 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CNR2 P34972 3/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL7043236 0.88 CNR1 (0.64) CNR1
SCHEMBL7043397 0.82 CNR1 (0.58) CNR1HPGDALDH1A1HTTMEN1
SCHEMBL7044693 0.82 CNR1 (0.64) CNR1
SCHEMBL7042633 0.81 CNR1 (0.52) CNR1CNR2
SCHEMBL7045579 0.78 CNR1 (0.57) CNR1NPC1RAB9ACNR2
SCHEMBL6552432 0.78 CNR1 (0.57) CNR1NPC1RAB9ACNR2
SCHEMBL7044217 0.76 CNR1 (0.57) CNR1NPC1RAB9ACNR2
SCHEMBL7046180 0.75 EPHX2 (0.50) CNR1HPGDALDH1A1MEN1KMT2A
SCHEMBL7043337 0.75 CNR1 (0.56) CNR1NPC1RAB9ACNR2
SCHEMBL7043451 0.73 CNR1 (0.55) CNR1NPC1RAB9ACNR2

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