SCHEMBL5140571

SCHEMBL5140571

CC([AsH2])(C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.72
MEN1 O00255 1/20 0.72
MAOB P27338 1/20 0.55
MAPT P10636 5/20 0.54
NPSR1 Q6W5P4 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 1/20 0.54
ALDH1A1 P00352 6/20 0.52
CACNA2D1 P54289 3/20 0.52
CACNA1B Q00975 3/20 0.52
CACNB1 Q02641 3/20 0.52
CACNA1C Q13936 3/20 0.52
CACNA1H O95180 1/20 0.52
MGLL Q99685 1/20 0.51
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.49
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL4278102 0.83 KMT2A (0.72) KMT2AMEN1MAOBMAPTNPSR1
SCHEMBL4273981 0.77 KMT2A (0.62) KMT2AMEN1ALDH1A1CACNA2D1CACNA1B
SCHEMBL4273008 0.77 KMT2A (0.62) KMT2AMEN1MAOBMAPTNPSR1
SCHEMBL13994872 0.76 KMT2A (1.00) KMT2AMEN1MAOBMAPTNPSR1
SCHEMBL27545187 0.75 KMT2A (0.74) KMT2AMEN1MAOBMAPTNPSR1
SCHEMBL14735634 0.75 KMT2A (0.63) KMT2AMEN1MAOBMAPTNPSR1
SCHEMBL4286415 0.74 CACNA2D1 (0.60) KMT2AMEN1MAOBMAPTNPSR1
SCHEMBL4013471 0.74 KMT2A (0.67) KMT2AMEN1MAOBMAPTNPSR1
SCHEMBL29321595 0.73 KMT2A (0.71) KMT2AMEN1MAOBMAPTNPSR1
SCHEMBL4908979 0.73 KMT2A (0.64) KMT2AMEN1MAOBMAPTNPSR1

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-1976841-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2008-10-08 EP claimed
WO-2007071035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-06-28 WO claimed