SCHEMBL4187004

SCHEMBL4187004

O=C(OC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.68
KMT2A Q03164 3/20 0.62
MAOB P27338 1/20 0.60
KDM4E B2RXH2 2/20 0.59
MAPT P10636 2/20 0.59
HPGD P15428 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ALDH1A1 P00352 4/20 0.57
CACNA2D1 P54289 2/20 0.57
CACNA1B Q00975 2/20 0.57
CACNB1 Q02641 2/20 0.57
CACNA1C Q13936 2/20 0.57
MEN1 O00255 1/20 0.57
CACNA1H O95180 1/20 0.57
NPC1 O15118 1/20 0.56
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
USP2 O75604 2/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL27518463 0.90 MGLL (0.53) MGLLKMT2AMAOBKDM4EMAPT
SCHEMBL16744460 0.82 MGLL (0.76) MGLLKMT2AMAOBKDM4EMAPT
SCHEMBL4649907 0.81 MGLL (0.62) MGLLKMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL27545187 0.80 KMT2A (0.74) MGLLKMT2AMAOBKDM4EMAPT
SCHEMBL4678831 0.79 SIGMAR1 (0.51) MGLLKMT2AMEN1
SCHEMBL28015720 0.79 ALDH1A1 (0.47) MGLLKDM4EALDH1A1
SCHEMBL4013471 0.79 KMT2A (0.67) MGLLKMT2AMAOBKDM4EMAPT
SCHEMBL4275831 0.78 NPC1 (0.71) KMT2AMAOBNPSR1ALDH1A1CACNA2D1
SCHEMBL13994872 0.77 KMT2A (1.00) MGLLKMT2AMAOBKDM4EMAPT
SCHEMBL917665 0.77 KMT2A (0.70) MGLLKMT2AMAOBKDM4EMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2019676-A2 METHOD FOR INCREASING THE BIOAVAILABILITY OF BENZHYDRYL PIPERAZINE CONTAINING COMPOUNDS Neuromed Pharmaceuticals, Ltd. (CA) 2009-02-04 EP claimed
WO-2007133481-A2 METHOD FOR INCREASING THE BIOAVAILABILITY OF BENZHYDRYL PIPERAZINE CONTAINING COMPOUNDS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-11-22 WO claimed