SCHEMBL6964464

SCHEMBL6964464

Nc1ccc2c(c1)CCN(Cc1nc3ccccc3[nH]1)C2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.56
HTR1A P08908 2/20 0.56
HTR7 P34969 1/20 0.56
HRH1 P35367 1/20 0.56
DRD3 P35462 1/20 0.56
HTT P42858 1/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HPGD P15428 1/20 0.52
DRD4 P21917 11/20 0.52
MAPT P10636 1/20 0.50
ADRA2C P18825 1/20 0.47
HTR2A P28223 1/20 0.47
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
F10 P00742 1/20 0.46

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
SCHEMBL1388106 0.86 DRD2 (0.71) DRD2HTR1AHTR7HRH1DRD3
SCHEMBL1388247 0.79 HTT (0.68) DRD2HTR1AHTR7HRH1DRD3
SCHEMBL6965488 0.76 MEN1 (0.45) DRD2DRD3KDM4EALDH1A1HSD17B10
SCHEMBL6970695 0.76 DRD4 (0.46) DRD2HTR1AHRH1DRD3HTT
SCHEMBL2838994 0.76 ALOX15 (0.51) DRD2HRH1DRD3KDM4EALDH1A1
SCHEMBL1388328 0.75 ALDH1A1 (0.58) DRD2HTR1AHTR7HRH1DRD3
SCHEMBL1388330 0.75 PRMT5 (0.59) DRD2HTR1AHTR7HRH1DRD3
SCHEMBL5157052 0.75 HTT (0.84) DRD2HTR1AHTTKDM4EALDH1A1
SCHEMBL6973388 0.74 TMEM97 (0.60) DRD2HTR1AHRH1DRD3DRD4
SCHEMBL18306556 0.74 HTT (0.73) DRD2HTR1AHTTKDM4EALDH1A1

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 claimed
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 claimed
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