SCHEMBL1738872

SCHEMBL1738872

CN1CCN(c2ccccc2C[C@H]2CCN(c3ccc(C4(O)CCC4)cc3)C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.39
NCF1 P14598 1/20 0.38
HTR7 P34969 1/20 0.35
BRPF1 P55201 2/20 0.35
BRD9 Q9H8M2 2/20 0.35
BRD4 O60885 1/20 0.35
HTR1A P08908 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
DRD3 P35462 1/20 0.34
SIGMAR1 Q99720 6/20 0.34
KMT2A Q03164 2/20 0.34
EGFR P00533 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
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
SCHEMBL1738179 1.00 ROCK2 (0.39) ROCK2NCF1HTR7BRPF1BRD9
SCHEMBL1738835 1.00 ROCK2 (0.39) ROCK2NCF1HTR7BRPF1BRD9
SCHEMBL1738621 0.98 ROCK2 (0.39) ROCK2NCF1HTR7BRPF1BRD9
SCHEMBL1737234 0.98 ROCK2 (0.39) ROCK2NCF1HTR7BRPF1BRD9
SCHEMBL1737818 0.98 ROCK2 (0.39) ROCK2NCF1HTR7BRPF1BRD9
SCHEMBL1737744 0.97 ROCK2 (0.39) ROCK2NCF1HTR7BRPF1BRD9
SCHEMBL1738393 0.97 ROCK2 (0.39) ROCK2NCF1HTR7BRPF1BRD9
SCHEMBL1737745 0.97 ROCK2 (0.39) ROCK2NCF1HTR7BRPF1BRD9
SCHEMBL1737630 0.95 NCF1 (0.43) ROCK2NCF1HTR7BRPF1BRD9
SCHEMBL1738368 0.93 NCF1 (0.38) ROCK2NCF1HTR7BRPF1BRD9

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-2007012964-A1 PREPARATION OF ALKYLPIPERAZINYLPHENYL COMPOUNDS BY CLASSICAL RESOLUTION PFIZER PRODUCTS INC. (US) 2007-02-01 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
WO-2007012964-A1 PREPARATION OF ALKYLPIPERAZINYLPHENYL COMPOUNDS BY CLASSICAL RESOLUTION PFIZER PRODUCTS INC. (US) 2007-02-01 WO disclosed