SCHEMBL6973256

SCHEMBL6973256

Nc1ccc2c(c1)CCN(Cc1ccco1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
THRB P10828 1/20 0.44
SIGMAR1 Q99720 4/20 0.44
ADRA2A P08913 3/20 0.41
ADRA2B P18089 3/20 0.41
DRD4 P21917 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2C P18825 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL6973388 0.77 TMEM97 (0.60) MEN1KMT2ASIGMAR1ADRA2AADRA2B
SCHEMBL6970695 0.76 DRD4 (0.46) KDM4EALDH1A1SIGMAR1ADRA2AADRA2B
SCHEMBL6973623 0.76 ALDH1A1 (0.63) KDM4EALDH1A1SIGMAR1ADRA2AADRA2B
Hydrochloric Acid SCHEMBL11456257 0.74 DRD2 (0.50) MEN1KMT2ASIGMAR1DRD4CYP2D6
SCHEMBL6962643 0.73 ACACB (0.51) MEN1KMT2AKDM4EALDH1A1SIGMAR1
SCHEMBL1950594 0.73 HRH3 (0.50) KDM4EMAPTDRD2
SCHEMBL6964021 0.73 PDE4B (0.52) MEN1KMT2AKDM4EALDH1A1SIGMAR1
SCHEMBL6975713 0.73 ALDH1A1 (0.56) KDM4EALDH1A1SIGMAR1ADRA2AADRA2B
SCHEMBL6966743 0.73 TMEM97 (0.58) MEN1KMT2ASIGMAR1ADRA2AADRA2B
SCHEMBL6963005 0.73 DRD4 (0.43) MEN1KMT2AKDM4EALDH1A1SIGMAR1

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