SCHEMBL6966889

SCHEMBL6966889

CC(C)(C)c1ccc(CN2CCc3c[c]ccc3C2C(N)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
OPRM1 P35372 2/20 0.34
DRD2 P14416 2/20 0.34
OPRD1 P41143 1/20 0.34
DRD4 P21917 1/20 0.34
SIGMAR1 Q99720 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GPR183 P32249 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CCR9 P51686 1/20 0.33
MMP1 P03956 1/20 0.33

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
SCHEMBL6962637 0.87 GAA (0.39) HDAC1HDAC8MEN1KMT2ADRD2
SCHEMBL6969257 0.86 SMN1; SMN2 (0.39) MEN1KMT2AOPRM1DRD2OPRD1
SCHEMBL6966047 0.85 ESR1 (0.37) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL6969207 0.85 SIRT2 (0.39) HDAC1HDAC8OPRM1DRD2OPRK1
SCHEMBL6968420 0.85 ALDH1A1 (0.44) OPRM1SIGMAR1ALDH1A1OPRK1KDM4E
SCHEMBL6973731 0.85 ACACB (0.40) MEN1KMT2ADRD2DRD4ALDH1A1
SCHEMBL6966740 0.84 HDAC1 (0.39) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL6972428 0.84 DRD2 (0.35) MEN1KMT2ADRD2SIGMAR1ALDH1A1
SCHEMBL6974751 0.83 GRM5 (0.40) MEN1KMT2ADRD2OPRD1DRD4
SCHEMBL6971776 0.83 MCHR1 (0.35) ALDH1A1MAPTHDAC6

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