SCHEMBL5746449

SCHEMBL5746449

O=C(N1CCCCC1)N1CCC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)CC1.O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 14/20 0.49
CNR1 P21554 4/20 0.49
CNR2 P34972 2/20 0.49
CYP2C19 P33261 1/20 0.49
KCNH2 Q12809 1/20 0.49
MGLL Q99685 1/20 0.49
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL4189467 0.94 LMNA (0.51) FAAHCNR1CNR2LMNATSHR
SCHEMBL4180075 0.87 FAAH (0.62) FAAHCNR1CNR2CYP2C19KCNH2
SCHEMBL4182411 0.79 LMNA (0.51) FAAHCNR1CNR2LMNATSHR
SCHEMBL4182413 0.79 LMNA (0.51) FAAHCNR1CNR2LMNATSHR
SCHEMBL4179776 0.78 FAAH (0.50) FAAHCNR1CNR2CYP2C19KCNH2
SCHEMBL4079967 0.77 CNR2 (0.51) FAAHCNR1CNR2LMNATSHR
SCHEMBL4192823 0.77 FAAH (0.57) FAAHCNR1CNR2CYP2C19KCNH2
SCHEMBL4075603 0.75 LMNA (0.52) FAAHCNR1CNR2CYP2C19KCNH2
SCHEMBL4075138 0.74 FAAH (0.43) FAAHCNR1CNR2CYP2C19KCNH2
SCHEMBL4189090 0.73 FAAH (0.64) FAAHCNR1CNR2CYP2C19KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006525299-A 2006-11-09 JP claimed
EP-1618105-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2006-01-25 EP claimed
WO-2004096794-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDRS VERNALIS RESEARCH LIMITED (GB) 2004-11-11 WO claimed