SCHEMBL1738727

SCHEMBL1738727

C[C@@H]1CN(c2ccccc2C[C@@H]2CCN(c3ccc(C(C)(C)O)nc3)C2=O)C[C@H](C)N1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 9/20 0.40
ROCK2 O75116 4/20 0.39
SIGMAR1 Q99720 1/20 0.36
CHRM2 P08172 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 1/20 0.35
LIPE Q05469 1/20 0.35
HCRTR1 O43613 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 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
SCHEMBL1737808 1.00 CHRM4 (0.40) CHRM4ROCK2SIGMAR1CHRM2CHRM1
SCHEMBL1738674 1.00 CHRM4 (0.40) CHRM4ROCK2SIGMAR1CHRM2CHRM1
SCHEMBL4475863 1.00 CHRM4 (0.40) CHRM4ROCK2SIGMAR1CHRM2CHRM1
SCHEMBL4475866 1.00 CHRM4 (0.40) CHRM4ROCK2SIGMAR1CHRM2CHRM1
SCHEMBL4486374 1.00 CHRM4 (0.40) CHRM4ROCK2SIGMAR1CHRM2CHRM1
SCHEMBL1737806 1.00 CHRM4 (0.40) CHRM4ROCK2SIGMAR1CHRM2CHRM1
SCHEMBL4486373 1.00 CHRM4 (0.40) CHRM4ROCK2SIGMAR1CHRM2CHRM1
SCHEMBL1737277 0.95 CHRM4 (0.39) CHRM4ROCK2SIGMAR1CHRM2CHRM1
SCHEMBL1737753 0.89 ROCK2 (0.40) CHRM4ROCK2SIGMAR1PARP1PARP2
SCHEMBL1737725 0.89 ROCK2 (0.40) CHRM4ROCK2SIGMAR1PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727794-B1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PROD INC (US) 2011-11-16 EP claimed
US-20110263484-A1 SINGLE CHAIN FC TYPE III INTERFERONS AND METHODS OF USING SAME ZYMOGENETICS, INC. 2011-10-27 US claimed
US-7479559-B2 3-[-2-(Piperazin-1-yl)benzyl]pyrrolidin-2-one derivatives; antidepressants, anxiolytic agents; obsessive compulsive disorder, psychological disorders, phobias; 5-HT1 agonist or antagonists; side effect reduction, in particular cardiac QTc prolongation; hydrogenation PFIZER INC. (US) 2009-01-20 US claimed
WO-2007026219-A2 COMBINATIONS OF A 5-HT1B ANTAGONIST WITH A NORADRENALIN RE-UPTAKE INHIBITOR OR A SEROTONIN NORADRENALIN REUTAKE INHIBITOR FOR TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2007-03-08 WO claimed
WO-2007026224-A2 5-HT1B ANTAGONIST COMPOSITION FOR DEPRESSION, ANXIETY AND COGNITION PFIZER PRODUCTS INC. (US) 2007-03-08 WO claimed
WO-2007123786-A1 SELECTIVELY REACTING OLEFINS HAVING A TERMINAL CF2 GROUP IN A MIXTURE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-11-01 WO disclosed
WO-2007026219-A2 COMBINATIONS OF A 5-HT1B ANTAGONIST WITH A NORADRENALIN RE-UPTAKE INHIBITOR OR A SEROTONIN NORADRENALIN REUTAKE INHIBITOR FOR TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2007-03-08 WO disclosed
WO-2007026224-A2 5-HT1B ANTAGONIST COMPOSITION FOR DEPRESSION, ANXIETY AND COGNITION PFIZER PRODUCTS INC. (US) 2007-03-08 WO disclosed