SCHEMBL707476

SCHEMBL707476

CC(C)(C)OC(=O)N1CCCC(CO)C1.CC(C)(C)OC(=O)N1CCCC(COS(C)(=O)=O)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.50
NR1H2 P55055 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
GLS O94925 2/20 0.42
BACE1 P56817 2/20 0.41
ACKR3 P25106 1/20 0.41
CTSD P07339 1/20 0.41
HPGD P15428 1/20 0.40
FEN1 P39748 2/20 0.40
KAT7 O95251 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
ALOX5AP P20292 1/20 0.40
CHEK2 O96017 1/20 0.40
KDM1A O60341 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
BCHE P06276 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL1785143 0.95 SCN9A (0.53) SCN9ANR1H2MEN1ALDH1A1MAPT
SCHEMBL1785144 0.95 SCN9A (0.53) SCN9ANR1H2MEN1ALDH1A1MAPT
SCHEMBL2955344 0.95 SCN9A (0.53) SCN9ANR1H2MEN1ALDH1A1MAPT
SCHEMBL624013 0.93 SCN9A (0.54) SCN9AMEN1ALDH1A1MAPTKMT2A
SCHEMBL3713816 0.93 SCN9A (0.52) SCN9ANR1H2MEN1ALDH1A1MAPT
SCHEMBL31420855 0.91 SCN9A (0.50) SCN9ANR1H2MEN1ALDH1A1MAPT
SCHEMBL31421097 0.91 SCN9A (0.50) SCN9ANR1H2MEN1ALDH1A1MAPT
SCHEMBL7448268 0.89 NR1H2 (0.52) SCN9ANR1H2MEN1ALDH1A1MAPT
SCHEMBL613607 0.87 GPR119 (0.47) SCN9ANR1H2MEN1ALDH1A1MAPT
SCHEMBL2241775 0.87 GPR119 (0.47) SCN9ANR1H2MEN1ALDH1A1MAPT

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-2421828-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF RENIN Cadila Healthcare Limited (IN) 2012-02-29 EP disclosed
WO-2010122580-A2 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2010-10-28 WO disclosed