SCHEMBL1897745

SCHEMBL1897745

CC(C)(C)c1cc(C(=O)Nc2ccccc2Cl)n(Cc2ccccc2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 8/20 0.71
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
KMT2A Q03164 1/20 0.67
GRN P28799 2/20 0.66
SORT1 Q99523 2/20 0.66
MAPT P10636 5/20 0.64
GAA P10253 5/20 0.64
ALDH1A1 P00352 4/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MAPK1 P28482 4/20 0.62
AGTR1 P30556 1/20 0.62
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
KCNH2 Q12809 1/20 0.61
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
HTR1E P28566 1/20 0.55

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
SCHEMBL1898164 0.86 NPSR1 (0.89) NPSR1GRNSORT1MAPTGAA
SCHEMBL148799 0.86 NPSR1 (0.67) NPSR1NPC1RAB9AKMT2AGRN
SCHEMBL1897821 0.84 NPSR1 (0.78) NPSR1RAB9AKMT2AGRNSORT1
SCHEMBL1899685 0.84 NPSR1 (0.85) NPSR1GRNSORT1MAPTGAA
SCHEMBL1899459 0.83 NPSR1 (1.00) NPSR1NPC1RAB9AKMT2AGRN
SCHEMBL175204 0.82 NPSR1 (0.62) NPSR1NPC1RAB9AKMT2AGRN
SCHEMBL1897555 0.82 NPSR1 (0.74) NPSR1NPC1RAB9AKMT2AGRN
SCHEMBL143529 0.82 NPSR1 (0.67) NPSR1NPC1RAB9AKMT2AGRN
SCHEMBL143851 0.82 NPSR1 (0.81) NPSR1GRNSORT1MAPTGAA
SCHEMBL1900718 0.82 NPSR1 (0.85) NPSR1GRNSORT1MAPTGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252156-B1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UCL BUSINESS PLC (GB) 2011-05-04 EP disclosed