SCHEMBL6974218

SCHEMBL6974218

CCCCS(=O)(=O)N1CCc2cc(N)ccc2C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
HDAC1 Q13547 1/20 0.46
ESR2 Q92731 3/20 0.44
ESR1 P03372 2/20 0.44
PDK2 Q15119 1/20 0.40
S1PR1 P21453 1/20 0.39
CA7 P43166 1/20 0.39
RYR2 Q92736 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
HSD17B3 P37058 1/20 0.38
CHEK1 O14757 1/20 0.38
FLT3 P36888 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 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
SCHEMBL15653335 0.89 ESR2 (0.50) MAPTTSHRESR2ESR1PDK2
SCHEMBL6972901 0.87 MAPT (0.43) MAPTTSHRESR2ESR1PDK2
SCHEMBL3185585 0.79 ESR2 (0.68) ESR2ESR1PDK2CA7RYR2
SCHEMBL1263763 0.78 HDAC6 (0.56) MAPTTSHRHDAC1
SCHEMBL7867299 0.78 MAPT (0.52) MAPTTSHRHDAC1ESR2ESR1
SCHEMBL6957881 0.75 ESR2 (0.48) ESR2ESR1PDK2CA7HSD17B3
SCHEMBL6975404 0.75 ESR2 (0.48) ESR2ESR1PDK2CA7HSD17B3
SCHEMBL14116827 0.73 AKR1C3 (0.54) MAPTTSHRESR2ESR1CA7
SCHEMBL4137572 0.73 ESR1 (0.59) ESR2ESR1PDK2CA7RYR2
SCHEMBL30534601 0.73 ESR1 (0.59) ESR2ESR1PDK2CA7RYR2

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