SCHEMBL6975560

SCHEMBL6975560

Nc1ccc2c(c1)CCN(Cc1ccc3c(c1)OCO3)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 2/20 0.54
TSHR P16473 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
PKM P14618 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
BRS3 P32247 1/20 0.46
KDM4E B2RXH2 2/20 0.45
USP2 O75604 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2D6 P10635 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
NFKB1 P19838 1/20 0.45
SLC6A2 P23975 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
SCHEMBL3048314 0.85 LTA4H (0.59) ALDH1A1MAPK1TSHRNPSR1PKM
SCHEMBL18192340 0.84 ALDH1A1 (0.71) ALDH1A1MAPK1TSHRNPSR1PKM
SCHEMBL18192331 0.79 KMT2A (0.73) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL6962643 0.79 ACACB (0.51) ALDH1A1NPSR1MEN1KMT2AKDM4E
SCHEMBL6974754 0.78 POLB (0.50) ALDH1A1NPSR1MEN1KMT2AKDM4E
SCHEMBL6973388 0.77 TMEM97 (0.60) MEN1KMT2AHTR1AADRA2ADRD2
SCHEMBL6961877 0.77 KMT2A (0.51) ALDH1A1NPSR1PKMMEN1KMT2A
SCHEMBL10625240 0.76 ALDH1A1 (0.51) ALDH1A1MAPK1TSHRNPSR1MEN1
SCHEMBL4580704 0.76 CMA1 (0.59) ALDH1A1MAPK1TSHRNPSR1PKM
SCHEMBL6966743 0.75 TMEM97 (0.58) MEN1KMT2AHTR1AADRA2AADRA2B

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