SCHEMBL6969248

SCHEMBL6969248

Nc1ccc2c(c1)CCN(Cc1c[nH]c3ccccc13)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.57
CYP2D6 P10635 1/20 0.57
DRD2 P14416 7/20 0.56
DRD3 P35462 7/20 0.56
HTR1A P08908 2/20 0.56
HTR2A P28223 1/20 0.56
SLC6A4 P31645 1/20 0.56
HTR7 P34969 1/20 0.56
HRH1 P35367 1/20 0.56
HTR6 P50406 2/20 0.54
LMNA P02545 3/20 0.53
HTT P42858 3/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 1/20 0.53
ASIC3 Q9UHC3 1/20 0.53
JAK2 O60674 1/20 0.52
RAB9A P51151 1/20 0.52
DRD4 P21917 6/20 0.52
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL8872038 0.86 DRD2 (0.72) BCHECYP2D6DRD2DRD3HTR1A
SCHEMBL6976524 0.79 DHFR (0.46) DRD2DRD3LMNAHTTKDM4E
SCHEMBL8872774 0.79 BCHE (0.73) BCHECYP2D6DRD2DRD3HTR1A
SCHEMBL6962475 0.79 ALDH1A1 (0.55) DRD2DRD3HTR1AHTR2ASLC6A4
SCHEMBL6975953 0.77 MAPT (0.76) DRD2DRD3HTTKDM4EDRD4
SCHEMBL6964021 0.76 PDE4B (0.52) HRH1KDM4ERAB9ADRD4POLB
SCHEMBL6975713 0.76 ALDH1A1 (0.56) CYP2D6DRD2DRD3HRH1LMNA
SCHEMBL6970868 0.75 ALDH1A1 (0.76) DRD2DRD3HTR2ALMNADRD4
SCHEMBL6973388 0.75 TMEM97 (0.60) DRD2DRD3HTR1AHRH1RAB9A
SCHEMBL8872681 0.75 CYP2D6 (0.58) BCHECYP2D6DRD2DRD3HTR1A

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