SCHEMBL5608486

SCHEMBL5608486

CC(C)S(=O)(=O)N1CCN(c2ccnc3c(-c4ccc(Cl)cc4)c(-c4ccccc4Cl)nn23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.48
CNR2 P34972 9/20 0.48
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.38
CYP3A5 P20815 1/20 0.38
CYP17A1 P05093 1/20 0.37
CYP21A2 P08686 1/20 0.37
CYP11B1 P15538 1/20 0.37
NPC1 O15118 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
CACNB4 O00305 2/20 0.34
CACNA1A O00555 2/20 0.34
CACNA1G O43497 2/20 0.34
CACNG3 O60359 2/20 0.34
CACNA1F O60840 2/20 0.34
CACNA1H O95180 2/20 0.34

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
SCHEMBL5608487 0.86 CNR1 (0.49) CNR1CNR2ALDH1A1NPC1NPSR1
SCHEMBL5382143 0.86 KMT2A (0.49) CNR1CNR2ALDH1A1NPC1NPSR1
SCHEMBL5617770 0.85 CNR1 (0.42) CNR1CNR2ALDH1A1CYP3A4NPC1
SCHEMBL4841516 0.82 CNR1 (0.50) CNR1CNR2ALDH1A1CYP3A4CYP3A5
SCHEMBL27647131 0.78 CNR1 (0.39) CNR1CNR2ALDH1A1NPC1NPSR1
SCHEMBL5380298 0.78 CNR1 (0.49) CNR1CNR2ALDH1A1NPC1NPSR1
SCHEMBL5386596 0.77 CNR1 (0.37) CNR1CNR2NPC1NPSR1HPGD
SCHEMBL5614490 0.77 OPRD1 (0.45) CNR1CNR2ALDH1A1NPC1NPSR1
SCHEMBL25363047 0.76 CNR1 (0.46) CNR1CNR2ALDH1A1NPSR1HPGD
SCHEMBL5608392 0.76 CNR1 (0.43) CNR1CNR2ALDH1A1NPC1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007502808-A 2007-02-15 JP claimed
EP-1658082-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-05-24 EP claimed
EP-1626738-A2 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS Pfizer Products Inc. (US) 2006-02-22 EP claimed
EP-1624895-A2 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF NICOTINE ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-02-15 EP claimed
WO-2005018645-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL PFIZER PRODUCTS INC. (US) 2005-03-03 WO claimed
US-20050043327-A1 Pharmaceutical composition for the prevention and treatment of addiction in a mammal PFIZER INC 2005-02-24 US claimed
WO-2004098641-A2 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS PFIZER PRODUCTS INC. (US) 2004-11-18 WO claimed
WO-2004098580-A2 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF NICOTINE ADDICTION IN A MAMMAL PFIZER PRODUCTS INC. (US) 2004-11-18 WO claimed
US-20040224963-A1 Pharmaceutical composition for the prevention and treatment of nicotine addiction in a mammal PFIZER INC 2004-11-11 US claimed
US-20040224962-A1 Pharmaceutical composition for the treatment of obesity or to facilitate or promote weight loss PFIZER INC 2004-11-11 US claimed
EP-1658082-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-05-24 EP disclosed
EP-1626738-A2 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS Pfizer Products Inc. (US) 2006-02-22 EP disclosed
EP-1624895-A2 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF NICOTINE ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-02-15 EP disclosed
WO-2005018645-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL PFIZER PRODUCTS INC. (US) 2005-03-03 WO disclosed
US-20050043327-A1 Pharmaceutical composition for the prevention and treatment of addiction in a mammal PFIZER INC 2005-02-24 US disclosed
WO-2004098641-A2 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS PFIZER PRODUCTS INC. (US) 2004-11-18 WO disclosed
WO-2004098580-A2 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF NICOTINE ADDICTION IN A MAMMAL PFIZER PRODUCTS INC. (US) 2004-11-18 WO disclosed
US-20040224963-A1 Pharmaceutical composition for the prevention and treatment of nicotine addiction in a mammal PFIZER INC 2004-11-11 US disclosed
US-20040224962-A1 Pharmaceutical composition for the treatment of obesity or to facilitate or promote weight loss PFIZER INC 2004-11-11 US disclosed