SCHEMBL6972571

SCHEMBL6972571

Nc1ccc2c(c1)CCN(Cc1cccc(F)c1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.55
KCNH2 Q12809 1/20 0.55
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
SIGMAR1 Q99720 3/20 0.46
DRD4 P21917 2/20 0.46
HTR2B P41595 2/20 0.46
TMEM97 Q5BJF2 2/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
CHRM3 P20309 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ADRA2A P08913 1/20 0.45

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 0.85 TMEM97 (0.60) DRD2KCNH2KMT2AMEN1SIGMAR1
SCHEMBL6974431 0.84 DRD4 (0.48) ALDH1A1SIGMAR1DRD4HTR2BTMEM97
SCHEMBL6965841 0.84 CA9 (0.50) ALDH1A1KMT2AMEN1SIGMAR1DRD4
SCHEMBL6972464 0.84 SIGMAR1 (0.52) DRD2KCNH2ALDH1A1KMT2AMEN1
SCHEMBL6974043 0.84 KDM4E (0.54) DRD2KCNH2ALDH1A1SIGMAR1DRD4
SCHEMBL6957509 0.81 DRD3 (0.48) DRD2SIGMAR1DRD4HTR2BTMEM97
SCHEMBL6971135 0.81 SIGMAR1 (0.66) DRD2KCNH2ALDH1A1KMT2ASIGMAR1
SCHEMBL29438650 0.80 OPRM1 (0.46) DRD2KCNH2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6973901 0.80 CA2 (0.44) ALDH1A1KMT2AMEN1SIGMAR1DRD4
SCHEMBL6960594 0.80 TMEM97 (0.56) ALDH1A1SMN1; SMN2SIGMAR1DRD4HTR2B

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