SCHEMBL1739591

SCHEMBL1739591

CN1CCN(c2ccccc2C[C@H]2CCN(c3ccc(C(=O)N4CCCCC4)cc3)C2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 5/20 0.44
ALDH1A1 P00352 6/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL1737848 1.00 MAPT (0.46) MAPTKDM4EHPGDALDH1A1GAA
SCHEMBL1737845 1.00 MAPT (0.46) MAPTKDM4EHPGDALDH1A1GAA
SCHEMBL1738643 0.95 KDM4E (0.48) MAPTKDM4EHPGDALDH1A1KMT2A
SCHEMBL1737795 0.91 HPGD (0.46) MAPTKDM4EHPGDALDH1A1KMT2A
SCHEMBL6434969 0.84 ROCK2 (0.44) MAPTKMT2ALMNASMN1; SMN2HRH3
SCHEMBL1738856 0.83 TRPV4 (0.45) MAPTKDM4EHPGDALDH1A1KMT2A
SCHEMBL1738789 0.83 TRPV4 (0.45) MAPTKDM4EHPGDALDH1A1KMT2A
SCHEMBL1738372 0.83 TRPV4 (0.45) MAPTKDM4EHPGDALDH1A1KMT2A
SCHEMBL22410991 0.82 ROCK2 (0.41) MAPTKMT2ALMNAHTTTSHR
SCHEMBL1737745 0.81 ROCK2 (0.39) MAPTKMT2AMEN1LMNA

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-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-2007026224-A2 5-HT1B ANTAGONIST COMPOSITION FOR DEPRESSION, ANXIETY AND COGNITION PFIZER PRODUCTS INC. (US) 2007-03-08 WO disclosed