SCHEMBL6972828

SCHEMBL6972828

Nc1ccc2c(c1)CCN(C(=O)c1ccccc1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA7 P43166 4/20 0.54
CA9 Q16790 4/20 0.54
CA14 Q9ULX7 4/20 0.54
LMNA P02545 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
DRD2 P14416 1/20 0.52
PTGS1 P23219 1/20 0.52
NAMPT P43490 1/20 0.51
HDAC6 Q9UBN7 2/20 0.51
TMPRSS2 O15393 1/20 0.51
PDE4B Q07343 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL6961213 0.92 MEN1 (0.65) HPGDALDH1A1SMN1; SMN2CA1CA2
SCHEMBL6968133 0.87 MEN1 (0.62) HPGDALDH1A1SMN1; SMN2CA1CA2
SCHEMBL3056380 0.84 CA1 (0.68) HPGDALDH1A1SMN1; SMN2CA1CA2
SCHEMBL12459664 0.84 CA1 (0.70) HPGDALDH1A1SMN1; SMN2CA1CA2
SCHEMBL381428 0.83 NR1H2 (0.56) SMN1; SMN2CA1CA2CA7CA9
SCHEMBL30277860 0.83 HPGD (0.73) HPGDALDH1A1SMN1; SMN2CA1CA2
SCHEMBL4279383 0.83 HPGD (0.73) HPGDALDH1A1SMN1; SMN2CA1CA2
SCHEMBL3176806 0.81 CA1 (0.74) HPGDALDH1A1SMN1; SMN2CA1CA2
SCHEMBL6974860 0.80 GAA (0.55) HPGDALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL8239825 0.80 CA1 (0.72) HPGDCA1CA2CA7CA9

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
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
US-5919795-A ATHEROSCLEROSIS THERAPY PFIZER INC. (US) 1999-07-06 US 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