SCHEMBL5607652

SCHEMBL5607652

Cc1nc(OC(C)(C)C)n2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.40
CNR2 P34972 10/20 0.40
TP53 P04637 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.35
CRHR1 P34998 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL4840849 0.85 CNR1 (0.40) CNR1CNR2TP53MAPTMEN1
SCHEMBL4840644 0.85 CNR1 (0.40) CNR1CNR2TP53MAPTMEN1
SCHEMBL4832926 0.84 CNR1 (0.45) CNR1CNR2TP53MAPTMEN1
SCHEMBL8261401 0.84 CNR1 (0.45) CNR1CNR2TP53MAPTMEN1
SCHEMBL4841026 0.83 CNR2 (0.39) CNR1CNR2TP53MAPTCRHR1
SCHEMBL4833246 0.83 CNR1 (0.39) CNR1CNR2TP53MAPTMEN1
SCHEMBL4840591 0.82 CRHR1 (0.39) CNR1CNR2TP53MEN1KMT2A
SCHEMBL5375193 0.78 TP53 (0.43) CNR1CNR2TP53MAPTMEN1
SCHEMBL4844584 0.78 CNR1 (0.36) CNR1CNR2TP53MAPTCRHR1
SCHEMBL4842348 0.78 CRHR1 (0.40) CNR1CNR2TP53MAPTALDH1A1

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 15 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
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
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