SCHEMBL6967728

SCHEMBL6967728

Nc1ccc2c(c1)CCN(Cc1c[nH]cn1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.39
DHFR P00374 2/20 0.38
DRD2 P14416 5/20 0.37
DRD4 P21917 3/20 0.37
DRD3 P35462 3/20 0.37
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
CA9 Q16790 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34
ASIC3 Q9UHC3 1/20 0.34

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
SCHEMBL4185736 0.78 CD44 (0.40) CD44DHFRDRD2DRD4DRD3
SCHEMBL12359567 0.78 MTNR1A (0.37) HTR2BALDH1A1
SCHEMBL6957984 0.78 DRD2 (0.56) DHFRDRD2DRD4DRD3HRH1
SCHEMBL6970695 0.77 DRD4 (0.46) CD44DHFRDRD2DRD4DRD3
SCHEMBL4178669 0.74 DHFR (0.38) CD44DHFRDRD2DRD4DRD3
SCHEMBL2838994 0.74 ALOX15 (0.51) CD44DHFRDRD2DRD4DRD3
SCHEMBL6963099 0.73 PRMT5 (0.41) DHFRDRD2DRD4DRD3
SCHEMBL6969659 0.73 DHFR (0.40) DHFRDRD2DRD4DRD3ADRA2A
SCHEMBL6967685 0.73 PRMT5 (0.47) CD44DHFRDRD2DRD4DRD3
SCHEMBL6972430 0.73 DRD2 (0.53) DHFRDRD2DRD4DRD3ADRA2A

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 3 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
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