SCHEMBL6971135

SCHEMBL6971135

COc1cccc(CN2CCc3cc(N)ccc3C2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.66
TMEM97 Q5BJF2 3/20 0.66
HTR1A P08908 2/20 0.66
DRD4 P21917 2/20 0.66
HTR2C P28335 2/20 0.66
HTR2B P41595 2/20 0.66
SLC6A3 Q01959 2/20 0.66
CHRM2 P08172 1/20 0.66
CHRM3 P20309 1/20 0.66
ADRA1D P25100 1/20 0.66
ADRA1A P35348 1/20 0.66
ADRA1B P35368 1/20 0.66
DRD3 P35462 1/20 0.66
DRD2 P14416 1/20 0.57
KCNH2 Q12809 1/20 0.57
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52

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
SCHEMBL6960594 0.87 TMEM97 (0.56) SIGMAR1TMEM97HTR1ADRD4HTR2C
SCHEMBL6969210 0.86 ABCB1 (0.65) SIGMAR1TMEM97HTR1ADRD4HTR2C
SCHEMBL3059218 0.85 SIGMAR1 (0.66) SIGMAR1TMEM97HTR1ADRD4HTR2C
SCHEMBL6974431 0.84 DRD4 (0.48) SIGMAR1TMEM97HTR1ADRD4HTR2C
SCHEMBL3156807 0.84 ABCB1 (0.62) SIGMAR1TMEM97HTR1ADRD4HTR2C
SCHEMBL29438686 0.83 SIGMAR1 (0.58) SIGMAR1TMEM97HTR1ADRD4HTR2C
SCHEMBL3048963 0.83 SIGMAR1 (0.60) SIGMAR1TMEM97HTR1ADRD4HTR2C
SCHEMBL6973388 0.82 TMEM97 (0.60) SIGMAR1TMEM97HTR1ADRD4HTR2C
SCHEMBL3050358 0.81 L3MBTL1 (0.69) SIGMAR1TMEM97HTR1ADRD4HTR2C
SCHEMBL6972464 0.81 SIGMAR1 (0.52) SIGMAR1TMEM97HTR1ADRD4HTR2C

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