SCHEMBL7744394

SCHEMBL7744394

Cc1cc(C(=O)O)n(Cc2cccc(C(F)(F)F)c2)n1.Cc1ccc(Cn2nc(C)cc2C(=O)Nc2ccc(C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.64
MAPT P10636 4/20 0.64
P2RY14 Q15391 2/20 0.57
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPK1 P28482 3/20 0.54
HTR1E P28566 1/20 0.54
S1PR3 Q99500 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
PTGDR2 Q9Y5Y4 4/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
AGTR1 P30556 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALPG P10696 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL147011 0.88 NPSR1 (0.65) NPSR1MAPTP2RY14NPC1RAB9A
SCHEMBL144387 0.87 NPSR1 (0.76) NPSR1MAPTP2RY14NPC1RAB9A
SCHEMBL3077688 0.86 P2RY14 (0.54) MAPTP2RY14L3MBTL1TP53LMNA
SCHEMBL1900773 0.83 NPSR1 (0.90) NPSR1MAPTNPC1RAB9AKMT2A
SCHEMBL147214 0.82 MAPT (0.67) NPSR1MAPTNPC1RAB9AKMT2A
SCHEMBL1897475 0.81 NPSR1 (0.48) NPSR1MAPTP2RY14MAPK1HTR1E
SCHEMBL146791 0.80 NPSR1 (0.78) NPSR1MAPTNPC1RAB9AKMT2A
SCHEMBL7744959 0.79 NPSR1 (1.00) NPSR1MAPTP2RY14NPC1RAB9A
SCHEMBL1902360 0.79 KMT2A (0.57) NPSR1MAPTP2RY14NPC1RAB9A
SCHEMBL7746883 0.78 NPSR1 (0.94) NPSR1MAPTMAPK1HTR1ES1PR3

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