SCHEMBL6966743

SCHEMBL6966743

Nc1ccc2c(c1)CCN(Cc1ccc(-c3ccccc3)cc1)C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.58
SIGMAR1 Q99720 3/20 0.58
DRD4 P21917 2/20 0.58
HTR2B P41595 2/20 0.58
CHRM2 P08172 1/20 0.58
HTR1A P08908 1/20 0.58
CHRM3 P20309 1/20 0.58
ADRA1D P25100 1/20 0.58
HTR2C P28335 1/20 0.58
ADRA1A P35348 1/20 0.58
ADRA1B P35368 1/20 0.58
DRD3 P35462 1/20 0.58
SLC6A3 Q01959 1/20 0.58
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
HRH1 P35367 1/20 0.52
ABCB1 P08183 7/20 0.50
ABCC1 P33527 2/20 0.50
ABCG2 Q9UNQ0 2/20 0.50
HDAC1 Q13547 1/20 0.50

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
SCHEMBL6973388 0.92 TMEM97 (0.60) TMEM97SIGMAR1DRD4HTR2BCHRM2
SCHEMBL8900524 0.86 PNMT (0.54) TMEM97SIGMAR1DRD4HTR2BCHRM2
SCHEMBL6962333 0.86 TMEM97 (0.55) TMEM97SIGMAR1DRD4HTR2BCHRM2
Hydrochloric Acid SCHEMBL8176576 0.85 PNMT (0.52) TMEM97SIGMAR1DRD4HTR2BCHRM2
SCHEMBL6962643 0.85 ACACB (0.51) TMEM97SIGMAR1DRD4HTR2BCHRM2
SCHEMBL10675304 0.84 ABCB1 (0.62) TMEM97SIGMAR1DRD4HTR2BCHRM2
SCHEMBL6961877 0.83 KMT2A (0.51) TMEM97SIGMAR1DRD4HTR2BCHRM2
SCHEMBL6974754 0.81 POLB (0.50) TMEM97SIGMAR1DRD4HTR2BDRD3
SCHEMBL3148257 0.81 MEN1 (0.67) MEN1KMT2ANOS1
SCHEMBL6966204 0.81 TMEM97 (0.55) TMEM97SIGMAR1DRD4HTR2BCHRM2

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 5 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
US-5919795-A ATHEROSCLEROSIS THERAPY PFIZER INC. (US) 1999-07-06 US 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