SCHEMBL6972434

SCHEMBL6972434

CCN(CC)CCOc1ccc(CN2CCc3c[c]ccc3C2C(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.45
CHRM2 P08172 1/20 0.43
CYP1A2 P05177 1/20 0.37
LTA4H P09960 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
ESR1 P03372 1/20 0.36
ACACB O00763 3/20 0.36
BCHE P06276 3/20 0.36
ACHE P22303 3/20 0.36
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL6969207 0.85 SIRT2 (0.39) CYP2D6CYP2C19ACACBKCNH2
SCHEMBL6968420 0.81 ALDH1A1 (0.44) HTTACACBSIGMAR1
SCHEMBL6962637 0.80 GAA (0.39) HTTACACB
SCHEMBL6966047 0.79 ESR1 (0.37) CYP2C19ESR1SIGMAR1KCNH2
SCHEMBL6966889 0.79 HDAC3 (0.38) ACACBSIGMAR1
SCHEMBL6973731 0.79 ACACB (0.40) HRH3CYP2D6HTTACACB
SCHEMBL6966740 0.78 HDAC1 (0.39) SIGMAR1KCNH2
SCHEMBL6972428 0.77 DRD2 (0.35) CYP2D6CYP2C9SIGMAR1
SCHEMBL6974751 0.77 GRM5 (0.40) SIGMAR1
SCHEMBL6971776 0.77 MCHR1 (0.35)

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