SCHEMBL6972430

SCHEMBL6972430

Nc1ccc2c(c1)CCN(Cc1ccncc1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.53
PDE4B Q07343 1/20 0.50
DRD4 P21917 2/20 0.45
HTR2B P41595 2/20 0.45
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
HRH1 P35367 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
CHRM3 P20309 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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 0.85 TMEM97 (0.60) DRD2DRD4HTR2BTMEM97SIGMAR1
SCHEMBL6962643 0.84 ACACB (0.51) DRD4HTR2BTMEM97SIGMAR1ADRA2A
SCHEMBL6972852 0.84 DRD2 (0.57) DRD2DRD4HTR2BTMEM97SIGMAR1
SCHEMBL6966204 0.83 TMEM97 (0.55) DRD4HTR2BTMEM97SIGMAR1ADRA2A
SCHEMBL6970695 0.81 DRD4 (0.46) DRD2DRD4HTR2BTMEM97SIGMAR1
SCHEMBL6966743 0.81 TMEM97 (0.58) DRD4HTR2BTMEM97SIGMAR1ADRA2A
SCHEMBL6974754 0.81 POLB (0.50) DRD4HTR2BTMEM97SIGMAR1ADRA2A
SCHEMBL14234931 0.80 KMT2A (0.58) KMT2AMEN1NOS1PRMT5WDR77
SCHEMBL29438637 0.80 OPRM1 (0.46) DRD2PDE4BDRD4HTR2BTMEM97
SCHEMBL6968428 0.80 TNF (0.52) DRD4HTR2BTMEM97SIGMAR1ADRA2A

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