SCHEMBL7744342

SCHEMBL7744342

CC(C)(C)c1cc(C(=O)NCc2ccccc2)n(Cc2ccccc2)n1.CC(C)(C)c1cc(C(=O)Nc2ccccc2)n(Cc2ccccc2)n1.O=C(Nc1ccccc1)c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.62
NPSR1 Q6W5P4 4/20 0.57
CACNA1G O43497 1/20 0.55
CACNA1H O95180 1/20 0.55
MALT1 Q9UDY8 2/20 0.52
MAPT P10636 4/20 0.51
MAPK1 P28482 3/20 0.51
GAA P10253 2/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
CNR1 P21554 2/20 0.50
CNR2 P34972 2/20 0.50
MAPK9 P45984 1/20 0.49
ALDH1A1 P00352 1/20 0.47
AGTR1 P30556 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TASP1 Q9H6P5 1/20 0.47

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
SCHEMBL6107458 0.99 DHODH (0.60) DHODHNPSR1CACNA1GCACNA1HMALT1
SCHEMBL7744833 0.85 NPC1 (0.55) DHODHNPSR1CACNA1GCACNA1HMALT1
SCHEMBL1899685 0.81 NPSR1 (0.85) NPSR1MAPTMAPK1GAACRHBP
SCHEMBL1898164 0.79 NPSR1 (0.89) NPSR1MAPTMAPK1GAACRHBP
SCHEMBL1897764 0.79 GRN (0.72) NPSR1MAPTMAPK1GAACRHBP
SCHEMBL1897746 0.78 MALT1 (0.77) DHODHMALT1MAPK9MEN1KMT2A
SCHEMBL16742039 0.77 DHODH (1.00) DHODHCACNA1GCACNA1H
SCHEMBL1897820 0.77 MALT1 (0.69) MALT1MAPK9MEN1KMT2A
SCHEMBL146787 0.76 NPSR1 (0.74) NPSR1MAPTMAPK1GAACRHBP
SCHEMBL7744354 0.74 NPSR1 (0.83) NPSR1MAPTMAPK1GAACRHBP

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-1252156-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 EP disclosed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 WO disclosed