SCHEMBL7746883

SCHEMBL7746883

CC(C)(C)c1cc(C(=O)O)n(Cc2ccccc2)n1.Cc1ccc(NC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)cc1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 8/20 0.94
MAPT P10636 5/20 0.75
MAPK1 P28482 4/20 0.75
GAA P10253 4/20 0.75
ALDH1A1 P00352 4/20 0.75
AGTR1 P30556 1/20 0.75
GRN P28799 5/20 0.74
SORT1 Q99523 5/20 0.74
HTR1E P28566 1/20 0.70
S1PR3 Q99500 1/20 0.70
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
KCNH2 Q12809 1/20 0.59
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
RECQL P46063 1/20 0.58
CNR1 P21554 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
SCHEMBL1899459 0.97 NPSR1 (1.00) NPSR1MAPTMAPK1GAAALDH1A1
SCHEMBL7744321 0.92 NPSR1 (0.78) NPSR1MAPTMAPK1GAAALDH1A1
SCHEMBL1898164 0.91 NPSR1 (0.89) NPSR1MAPTMAPK1GAAALDH1A1
SCHEMBL7744319 0.90 NPSR1 (0.75) NPSR1MAPTMAPK1GAAALDH1A1
SCHEMBL1900718 0.89 NPSR1 (0.85) NPSR1MAPTMAPK1GAAALDH1A1
SCHEMBL1899685 0.89 NPSR1 (0.85) NPSR1MAPTMAPK1GAAALDH1A1
SCHEMBL1898740 0.89 NPSR1 (0.85) NPSR1MAPTMAPK1GAAALDH1A1
SCHEMBL7744354 0.88 NPSR1 (0.83) NPSR1MAPTMAPK1GAAALDH1A1
SCHEMBL143851 0.87 NPSR1 (0.81) NPSR1MAPTMAPK1GAAALDH1A1
SCHEMBL147989 0.86 NPSR1 (0.80) NPSR1MAPTMAPK1GAAALDH1A1

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 claimed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 WO claimed