SCHEMBL1740165

SCHEMBL1740165

CN1CCN(c2ccccc2C[C@H]2CCCN(c3ccc(C(C)(C)O)cc3)C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 8/20 0.43
NCF1 P14598 1/20 0.39
HTR1A P08908 2/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
BRD9 Q9H8M2 4/20 0.37
BRPF1 P55201 3/20 0.37
BRD4 O60885 2/20 0.37
FPR1 P21462 4/20 0.37
EGFR P00533 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
ROCK2 O75116 2/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 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
SCHEMBL1738321 1.00 FPR2 (0.43) FPR2NCF1HTR1ADRD2DRD4
SCHEMBL1737767 1.00 FPR2 (0.43) FPR2NCF1HTR1ADRD2DRD4
SCHEMBL1737713 0.94 ROCK2 (0.41) FPR2NCF1HTR1ADRD2DRD4
SCHEMBL1737717 0.94 ROCK2 (0.41) FPR2NCF1HTR1ADRD2DRD4
SCHEMBL1737760 0.94 ROCK2 (0.41) FPR2NCF1HTR1ADRD2DRD4
SCHEMBL1737867 0.92 NCF1 (0.45) FPR2NCF1HTR1ADRD2DRD4
SCHEMBL1737879 0.89 FPR2 (0.36) FPR2FPR1ROCK2
SCHEMBL1738975 0.86 WEE1 (0.37) FPR2NCF1BRD9BRPF1BRD4
SCHEMBL1738510 0.86 WEE1 (0.37) FPR2NCF1BRD9BRPF1BRD4
SCHEMBL1738446 0.86 WEE1 (0.37) FPR2NCF1BRD9BRPF1BRD4

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 7 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-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