SCHEMBL1738446

SCHEMBL1738446

CN1CCN(c2ccccc2C[C@@H]2CCCN(c3ccc(C(C)(C)O)nc3)C2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 9/20 0.37
PLK1 P53350 8/20 0.37
BRD9 Q9H8M2 4/20 0.36
BRPF1 P55201 3/20 0.36
BRD4 O60885 2/20 0.36
NCF1 P14598 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
ROCK2 O75116 2/20 0.35
BRD7 Q9NPI1 1/20 0.35
FPR2 P25090 1/20 0.35
CHRM4 P08173 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL1738510 1.00 WEE1 (0.37) WEE1PLK1BRD9BRPF1BRD4
SCHEMBL1738975 1.00 WEE1 (0.37) WEE1PLK1BRD9BRPF1BRD4
SCHEMBL1737753 0.95 ROCK2 (0.40) WEE1PLK1BRD9BRPF1BRD4
SCHEMBL1738670 0.95 ROCK2 (0.40) WEE1PLK1BRD9BRPF1BRD4
SCHEMBL1737725 0.95 ROCK2 (0.40) WEE1PLK1BRD9BRPF1BRD4
SCHEMBL1737277 0.90 CHRM4 (0.39) PARP1PARP2ROCK2FPR2CHRM4
SCHEMBL1738829 0.89 DPP4 (0.37) WEE1PARP1PARP2FPR2
SCHEMBL1737782 0.89 DPP4 (0.37) WEE1PARP1PARP2FPR2
SCHEMBL1737221 0.89 DPP4 (0.37) WEE1PARP1PARP2FPR2
SCHEMBL1738321 0.86 FPR2 (0.43) BRD9BRPF1BRD4NCF1ROCK2

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 6 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-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