SCHEMBL6969207

SCHEMBL6969207

COc1ccc(CN2CCc3c[c]ccc3C2C(N)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
ACACB O00763 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
MAOB P27338 1/20 0.38
DRD2 P14416 1/20 0.38
KCNH2 Q12809 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TNF P01375 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6962328 0.88 MGLL (0.38) ACACBOPRM1OPRK1RAB9A
SCHEMBL6962637 0.87 GAA (0.39) ACACBHDAC1HDAC6HDAC8DRD2
SCHEMBL6969257 0.86 SMN1; SMN2 (0.39) DRD2OPRM1OPRK1RAB9ASMN1; SMN2
SCHEMBL6966047 0.85 ESR1 (0.37) SIRT1HDAC1HDAC8KCNH2CYP2C19
SCHEMBL6966889 0.85 HDAC3 (0.38) ACACBHDAC1HDAC6HDAC8DRD2
SCHEMBL6973731 0.85 ACACB (0.40) ACACBDRD2CYP2D6SMN1; SMN2
SCHEMBL6968420 0.85 ALDH1A1 (0.44) ACACBOPRM1OPRK1TNFNOD2
SCHEMBL6972434 0.85 HRH3 (0.45) ACACBKCNH2CYP2D6CYP2C19
SCHEMBL6966740 0.84 HDAC1 (0.39) HDAC1HDAC6HDAC8DRD2KCNH2
SCHEMBL6972428 0.84 DRD2 (0.35) DRD2CYP3A4CYP2D6MAPT

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