SCHEMBL6973901

SCHEMBL6973901

Nc1ccc2c(c1)CCN(Cc1cccc(S(N)(=O)=O)c1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA4 P22748 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PRMT5 O14744 3/20 0.43
WDR77 Q9BQA1 3/20 0.43
DRD4 P21917 2/20 0.42
HTR2B P41595 2/20 0.42
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM3 P20309 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL3172431 0.83 DRD4 (0.54) CA2CA9CA12CA1CA14
SCHEMBL6973388 0.81 TMEM97 (0.60) DRD4HTR2BTMEM97SIGMAR1CHRM2
SCHEMBL6972571 0.80 DRD2 (0.55) DRD4HTR2BTMEM97SIGMAR1CHRM2
SCHEMBL6965841 0.80 CA9 (0.50) CA9DRD4HTR2BTMEM97SIGMAR1
SCHEMBL6972464 0.80 SIGMAR1 (0.52) DRD4HTR2BTMEM97SIGMAR1CHRM2
SCHEMBL6974431 0.80 DRD4 (0.48) CA9PRMT5WDR77DRD4HTR2B
SCHEMBL3048963 0.80 SIGMAR1 (0.60) CA2CA9CA1CA14DRD4
SCHEMBL3059191 0.78 KDM4E (0.54) CA2CA9KDM4EALDH1A1MAPT
SCHEMBL6967401 0.78 ALDH1A1 (0.51) DRD4HTR2BTMEM97SIGMAR1CHRM2
SCHEMBL6957509 0.77 DRD3 (0.48) DRD4HTR2BTMEM97SIGMAR1CHRM2

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