SCHEMBL7744356

SCHEMBL7744356

CC(C)(C)c1cc(C(=O)O)n(Cc2ccccc2)n1.Nc1ccc(C(=O)Nc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 5/20 0.68
SORT1 Q99523 5/20 0.68
NPSR1 Q6W5P4 8/20 0.66
MAPT P10636 5/20 0.56
MAPK1 P28482 4/20 0.56
GAA P10253 5/20 0.56
ALDH1A1 P00352 4/20 0.56
AGTR1 P30556 1/20 0.56
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KCNH2 Q12809 1/20 0.53
HTR1E P28566 1/20 0.52
S1PR3 Q99500 1/20 0.52
RECQL P46063 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
P2RY14 Q15391 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
SCHEMBL7744353 0.92 GRN (0.68) GRNSORT1NPSR1MAPTMAPK1
SCHEMBL7744354 0.89 NPSR1 (0.83) GRNSORT1NPSR1MAPTMAPK1
SCHEMBL7739178 0.86 GRN (0.79) GRNSORT1NPSR1MAPTMAPK1
SCHEMBL1898164 0.85 NPSR1 (0.89) GRNSORT1NPSR1MAPTMAPK1
4-Chloroaniline SCHEMBL7744339 0.84 GRN (0.79) GRNSORT1NPSR1MAPTMAPK1
SCHEMBL7746883 0.83 NPSR1 (0.94) GRNSORT1NPSR1MAPTMAPK1
SCHEMBL1905801 0.82 NPSR1 (0.77) GRNSORT1NPSR1MAPTMAPK1
SCHEMBL3069753 0.82 GRN (1.00) GRNSORT1NPSR1MAPTMAPK1
SCHEMBL1898740 0.81 NPSR1 (0.85) GRNSORT1NPSR1MAPTMAPK1
SCHEMBL7739174 0.80 GRN (0.76) GRNSORT1NPSR1MAPTMAPK1

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