SCHEMBL6961374

SCHEMBL6961374

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.50
HSD17B3 P37058 1/20 0.43
ACE P12821 2/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP7 Q9UHL4 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
HDAC8 Q9BY41 3/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
ESR2 Q92731 4/20 0.40
ESR1 P03372 3/20 0.39
NOTUM Q6P988 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
NAMPT P43490 1/20 0.38
ABHD6 Q9BV23 1/20 0.38

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
SCHEMBL6972682 0.88 NR1H2 (0.51) NR1H2HSD17B3ACEDPP8DPP7
SCHEMBL6973588 0.82 DPP8 (0.51) NR1H2HSD17B3ACEDPP8DPP7
SCHEMBL6962531 0.81 NR1H2 (0.54) NR1H2HSD17B3ACEDPP8DPP7
SCHEMBL6967754 0.81 NR1H2 (0.49) NR1H2HSD17B3ACEDPP8DPP7
SCHEMBL6965439 0.80 NR1H2 (0.48) NR1H2HSD17B3ACEDPP8DPP7
SCHEMBL3858227 0.79 NOTUM (0.63) NR1H2HSD17B3BAZ2BHDAC8CA1
SCHEMBL6974571 0.78 NR1H2 (0.52) NR1H2HSD17B3ACEDPP8DPP7
SCHEMBL6974445 0.77 NR1H2 (0.51) NR1H2HSD17B3ACEDPP8DPP7
SCHEMBL381428 0.77 NR1H2 (0.56) NR1H2HSD17B3HDAC8CA1CA2
SCHEMBL6973945 0.76 NR1H2 (0.52) NR1H2HSD17B3DPP8DPP7NAMPT

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 2 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