SCHEMBL1738655

SCHEMBL1738655

CCC(O)(CC)c1ccc(N2CC[C@H](Cc3ccccc3N3CCN(C)CC3)C2=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.42
BRD9 Q9H8M2 12/20 0.40
BRD4 O60885 4/20 0.40
BRPF1 P55201 3/20 0.40
BRD7 Q9NPI1 2/20 0.38
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 1/20 0.36
WEE1 P30291 1/20 0.34
PLK1 P53350 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
SCHEMBL1740171 1.00 ROCK2 (0.42) ROCK2BRD9BRD4BRPF1BRD7
SCHEMBL12295015 1.00 ROCK2 (0.42) ROCK2BRD9BRD4BRPF1BRD7
SCHEMBL1738777 1.00 ROCK2 (0.42) ROCK2BRD9BRD4BRPF1BRD7
SCHEMBL12295017 1.00 ROCK2 (0.42) ROCK2BRD9BRD4BRPF1BRD7
SCHEMBL12295013 1.00 ROCK2 (0.42) ROCK2BRD9BRD4BRPF1BRD7
SCHEMBL1738670 0.91 ROCK2 (0.40) ROCK2BRD9BRD4BRPF1BRD7
SCHEMBL1737753 0.91 ROCK2 (0.40) ROCK2BRD9BRD4BRPF1BRD7
SCHEMBL1737725 0.91 ROCK2 (0.40) ROCK2BRD9BRD4BRPF1BRD7
SCHEMBL12327970 0.91 ROCK2 (0.41) ROCK2HTR2C
SCHEMBL12327971 0.91 ROCK2 (0.41) ROCK2HTR2C

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 9 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-2007012964-A1 PREPARATION OF ALKYLPIPERAZINYLPHENYL COMPOUNDS BY CLASSICAL RESOLUTION PFIZER PRODUCTS INC. (US) 2007-02-01 WO claimed
EP-1836164-B1 11C-LABELED BENZYL-LACTAM COMPOUNDS AND THEIR USE AS IMAGING AGENTS GE HEALTHCARE LTD (GB) 2011-08-24 EP 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
WO-2007012964-A1 PREPARATION OF ALKYLPIPERAZINYLPHENYL COMPOUNDS BY CLASSICAL RESOLUTION PFIZER PRODUCTS INC. (US) 2007-02-01 WO disclosed