SCHEMBL6965680

SCHEMBL6965680

CC(C)(C)Sc1ccccc1CN1CCc2cc(N)ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
DHFR P00374 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
NR1H2 P55055 2/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
DRD4 P21917 2/20 0.37
HTR2B P41595 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
CHRM3 P20309 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37

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
SCHEMBL6974555 0.79 CHRNA7 (0.44) POLBDHFRKDM4EALDH1A1TSHR
SCHEMBL6964021 0.78 PDE4B (0.52) POLBDHFRKDM4EALDH1A1TSHR
SCHEMBL6975713 0.78 ALDH1A1 (0.56) POLBDHFRKDM4EALDH1A1TSHR
SCHEMBL6976524 0.76 DHFR (0.46) POLBDHFRKDM4EALDH1A1TSHR
SCHEMBL6973388 0.74 TMEM97 (0.60) DHFRMEN1KMT2ADRD4HTR2B
SCHEMBL6970868 0.72 ALDH1A1 (0.76) POLBDHFRALDH1A1TSHRMEN1
SCHEMBL6966893 0.72 ACACB (0.47) KDM4EALDH1A1MEN1KMT2ADRD4
SCHEMBL6974145 0.71 ALDH1A1 (0.43) POLBDHFRKDM4EALDH1A1TSHR
SCHEMBL6976031 0.71 POLB (0.41) POLBDHFRKDM4EALDH1A1TSHR
SCHEMBL6961921 0.71 POLB (0.55) POLBDHFRKDM4EALDH1A1TSHR

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