SCHEMBL6957857

SCHEMBL6957857

CC(C)(C)CC(=O)N1CCc2cc(N)ccc2C1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.57
HDAC6 Q9UBN7 3/20 0.48
HDAC8 Q9BY41 1/20 0.48
ESR2 Q92731 5/20 0.46
HSD17B3 P37058 1/20 0.44
ESR1 P03372 4/20 0.43
DPP7 Q9UHL4 2/20 0.42
DPP4 P27487 1/20 0.42
CHEK1 O14757 3/20 0.41
FLT3 P36888 3/20 0.41
DPP8 Q6V1X1 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MMP8 P22894 1/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.40
NLRP3 Q96P20 1/20 0.40

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
SCHEMBL6973945 0.82 NR1H2 (0.52) NR1H2HSD17B3DPP7DPP8KDM4E
SCHEMBL6962549 0.82 HDAC6 (0.65) NR1H2HDAC6HDAC8ESR2HSD17B3
SCHEMBL13002326 0.81 NOTUM (0.61) DPP7DPP4DPP8KDM4EMMP8
SCHEMBL6973919 0.81 NR1H2 (0.51) NR1H2HSD17B3KDM4EKMT2A
SCHEMBL6972682 0.81 NR1H2 (0.51) NR1H2HDAC8ESR2HSD17B3ESR1
SCHEMBL6961235 0.80 SGPL1 (0.51) NR1H2HSD17B3KDM4EKMT2AMEN1
SCHEMBL6973588 0.80 DPP8 (0.51) NR1H2HSD17B3DPP7DPP8KDM4E
SCHEMBL3858227 0.80 NOTUM (0.63) NR1H2HDAC6HDAC8ESR2HSD17B3
SCHEMBL6962036 0.79 HDAC3 (0.52) NR1H2HSD17B3KMT2AMEN1
SCHEMBL6975159 0.79 NR1H2 (0.55) NR1H2HDAC6HDAC8ESR2HSD17B3

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