SCHEMBL6973731

SCHEMBL6973731

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.40
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
FAAH O00519 2/20 0.34
GPR183 P32249 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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 0.89 GAA (0.39) ACACBALDH1A1HTTDRD2DRD4
SCHEMBL6969257 0.86 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2DRD2DRD4MEN1
SCHEMBL6966047 0.85 ESR1 (0.37) SMN1; SMN2PPARGPPARDPPARAMEN1
SCHEMBL6968420 0.85 ALDH1A1 (0.44) ACACBALDH1A1HTTPPARGPPARD
SCHEMBL6974751 0.85 GRM5 (0.40) ALDH1A1SMN1; SMN2DRD2DRD4PPARG
SCHEMBL6969207 0.85 SIRT2 (0.39) ACACBSMN1; SMN2DRD2CYP2D6
SCHEMBL6966889 0.85 HDAC3 (0.38) ACACBALDH1A1DRD2DRD4GPR183
SCHEMBL6966200 0.85 PPARG (0.35) ACACBDRD2DRD4PPARGPPARD
SCHEMBL6966740 0.84 HDAC1 (0.39) ALDH1A1DRD2DRD4FAAHPPARG
SCHEMBL6972428 0.84 DRD2 (0.35) ALDH1A1DRD2CYP2D6MEN1KMT2A

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-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