SCHEMBL7043397

SCHEMBL7043397

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.58
ALDH1A1 P00352 3/20 0.55
POLB P06746 1/20 0.52
EPHX1 P07099 4/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CNR2 P34972 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 2/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL7044203 0.88 SMN1; SMN2 (0.51) CNR1ALDH1A1POLBEPHX1NPC1
SCHEMBL7046180 0.88 EPHX2 (0.50) CNR1ALDH1A1EPHX1NPC1RAB9A
SCHEMBL7045579 0.83 CNR1 (0.57) CNR1NPC1RAB9ACNR2
SCHEMBL7044680 0.83 CNR1 (0.56) CNR1ALDH1A1POLBEPHX1NPC1
SCHEMBL6552432 0.83 CNR1 (0.57) CNR1NPC1RAB9ACNR2
SCHEMBL7044205 0.82 CNR1 (0.52) CNR1ALDH1A1NPC1RAB9ACNR2
SCHEMBL7044217 0.82 CNR1 (0.57) CNR1NPC1RAB9ACNR2
SCHEMBL7042512 0.79 CNR1 (0.58) CNR1NPC1RAB9ACNR2SMN1; SMN2
SCHEMBL7043337 0.76 CNR1 (0.56) CNR1NPC1RAB9ACNR2
SCHEMBL7046586 0.76 MAPT (0.40) CNR1POLBNPC1RAB9AL3MBTL1

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