SCHEMBL7739178

SCHEMBL7739178

CC(C)(C)c1cc(C(=O)O)n(Cc2ccccc2)n1.CC(C)(C)c1ccc(N)cc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRN P28799 7/20 0.79
SORT1 Q99523 7/20 0.79
NPSR1 Q6W5P4 5/20 0.56
GAA P10253 5/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 2/20 0.54
AGTR1 P30556 1/20 0.54
NPC1 O15118 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KCNH2 Q12809 1/20 0.52
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
RECQL P46063 1/20 0.48

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
4-Chloroaniline SCHEMBL7744339 0.91 GRN (0.79) GRNSORT1NPSR1GAAMAPT
SCHEMBL3069753 0.89 GRN (1.00) GRNSORT1NPSR1GAAMAPT
SCHEMBL7739174 0.89 GRN (0.76) GRNSORT1NPSR1GAAMAPT
SCHEMBL7744356 0.86 GRN (0.68) GRNSORT1NPSR1GAAMAPT
SCHEMBL1897360 0.81 GRN (0.80) GRNSORT1NPSR1GAAMAPT
SCHEMBL1898740 0.81 NPSR1 (0.85) GRNSORT1NPSR1GAAMAPT
SCHEMBL893061 0.80 GRN (0.82) GRNSORT1NPSR1GAAMAPT
SCHEMBL13219146 0.80 GRN (0.82) GRNSORT1NPSR1GAAMAPT
SCHEMBL4689814 0.80 GRN (0.64) GRNSORT1NPSR1GAAMAPT
SCHEMBL7744333 0.80 GRN (0.76) GRNSORT1NPSR1GAAMAPT

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