SCHEMBL10140978

SCHEMBL10140978

Bc1ccc(N)c(C2CCCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 3/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.40
TSHR P16473 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
UCHL1 P09936 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR1H2 P55055 1/20 0.39
USP30 Q70CQ3 1/20 0.39
L3MBTL1 Q9Y468 2/20 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
SCHEMBL13154983 0.86 KMT2A (0.45) NPSR1LMNANPC1ALDH1A1MAPT
SCHEMBL890187 0.86 KMT2A (0.45) NPSR1LMNANPC1ALDH1A1MAPT
SCHEMBL14757730 0.86 KMT2A (0.45) NPSR1LMNANPC1ALDH1A1MAPT
SCHEMBL28525767 0.83 RIPK1 (0.46) NPSR1LMNANPC1ALDH1A1MAPT
SCHEMBL19174905 0.83 RIPK1 (0.46) NPSR1LMNANPC1ALDH1A1MAPT
SCHEMBL30879793 0.79 TSHR (0.42) NPSR1LMNANPC1ALDH1A1TSHR
SCHEMBL30679850 0.79 ALOX5AP (0.45) NPSR1LMNANPC1ALDH1A1MAPT
SCHEMBL25594973 0.77 LMNA (0.48) NPSR1LMNANPC1ALDH1A1MAPT
SCHEMBL31226469 0.76 ALOX5AP (0.45) NPSR1LMNANPC1ALDH1A1MAPT
SCHEMBL31226409 0.76 ALOX5AP (0.45) NPSR1LMNANPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012021704-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2011127350-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-10-13 WO disclosed
WO-2011091417-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-07-28 WO disclosed
WO-2011031904-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-03-17 WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed