SCHEMBL6969205

SCHEMBL6969205

Nc1ccc2c(c1)CCN(C(=O)c1cccs1)C2

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.65
HRH3 Q9Y5N1 2/20 0.57
LMNA P02545 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
ALOX12 P18054 1/20 0.54
POLB P06746 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.46
NR1H2 P55055 1/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL6973484 0.79 HTT (0.47) LMNAALDH1A1MAPTPOLBNPC1
SCHEMBL6972828 0.79 HPGD (0.56) LMNAALDH1A1SMN1; SMN2HPGDNR1H2
SCHEMBL6968133 0.77 MEN1 (0.62) GAALMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL693973 0.77 GAA (0.58) GAAHRH3LMNAALDH1A1MAPT
SCHEMBL381428 0.76 NR1H2 (0.56) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL1264606 0.75 HDAC6 (0.65) GAAHRH3LMNAMAPTPOLB
SCHEMBL3858227 0.75 NOTUM (0.63) HRH3MAPTNPC1RAB9ANR1H2
SCHEMBL6961213 0.74 MEN1 (0.65) LMNAALDH1A1POLBNPC1TP53
SCHEMBL6967882 0.74 ALDH1A1 (0.65) GAALMNAALDH1A1MAPTALOX12
SCHEMBL6974860 0.73 GAA (0.55) GAALMNAALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832069-B1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER (US) 2003-03-05 EP disclosed
EP-1181954-A2 Biphenyl-2-carboxylic acid-tetrahydro-isoquinolin-6-yl amide derivatives, their preparation and use as inhibitors of microsomal triglyceride transfer protein and/or apolipoprotein B (ApoB) secretion PFIZER INC. (US) 2002-02-27 EP disclosed
EP-0832069-A1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996040640-A1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER INC. (US) 1996-12-19 WO disclosed