SCHEMBL6967401

SCHEMBL6967401

Nc1ccc2c(c1)CCN(Cc1cccc([N+](=O)[O-])c1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 3/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
CHRM3 P20309 1/20 0.44
DRD4 P21917 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL6961010 0.87 TAAR1 (0.57) ALDH1A1KDM4ETDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL6961966 0.85 TAAR1 (0.56) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL27362549 0.84 MEN1 (0.55) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL6296037 0.82 DRD4 (0.54) ALDH1A1TDP1MAPK1MAPTSMN1; SMN2
SCHEMBL6973388 0.80 TMEM97 (0.60) MEN1KMT2ASIGMAR1CHRM2HTR1A
SCHEMBL6972464 0.79 SIGMAR1 (0.52) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6974431 0.79 DRD4 (0.48) ALDH1A1KDM4EMAPTNPSR1L3MBTL1
SCHEMBL6972571 0.79 DRD2 (0.55) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6965841 0.79 CA9 (0.50) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL6971135 0.79 SIGMAR1 (0.66) ALDH1A1KDM4EKMT2AMAPTNPSR1

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 10 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
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
CN-1058709-C Amide compounds for medical treatment PFIZER (US) 2000-11-22 CN 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
CN-1141918-A Amide compounds for medical treatment PFIZER (US) 1997-02-05 CN 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