SCHEMBL5607598

SCHEMBL5607598

CN1CNC(=O)C12CN(c1ccnc3c(-c4ccc(Cl)cc4)c(-c4ccccc4Cl)nn13)C2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CNR1 P21554 11/20 0.34
CDK8 P49336 1/20 0.34
CDK19 Q9BWU1 1/20 0.34
CNR2 P34972 8/20 0.34
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
ADORA1 P30542 2/20 0.34
MAPT P10636 1/20 0.32
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
GSK3B P49841 1/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL5399747 0.87 KMT2A (0.43) NPSR1CNR1MAPTMEN1KMT2A
SCHEMBL4841783 0.84 CNR1 (0.36) CNR1CDK8CDK19CNR2ADORA2A
SCHEMBL5386596 0.83 CNR1 (0.37) NPC1NPSR1CNR1CDK8CDK19
SCHEMBL5685742 0.82 NPC1 (0.35) NPC1NPSR1CNR1CDK8CDK19
SCHEMBL5617770 0.80 CNR1 (0.42) NPC1NPSR1CNR1CNR2MAPT
SCHEMBL5685557 0.79 CNR1 (0.40) NPC1NPSR1CNR1CNR2ADORA2A
SCHEMBL5386529 0.78 CNR1 (0.45) NPC1NPSR1CNR1CNR2ADORA2A
SCHEMBL5383708 0.76 CNR1 (0.55) NPC1NPSR1CNR1CNR2
SCHEMBL5608392 0.76 CNR1 (0.43) NPC1NPSR1CNR1CNR2MEN1
SCHEMBL5608584 0.74 PTPN11 (0.41) NPC1NPSR1CNR1CNR2ADORA2A

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-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
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
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-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
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
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