SCHEMBL6971131

SCHEMBL6971131

COc1cccc(CN2CCc3c[c]ccc3C2C(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
DRD2 P14416 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
HCRTR1 O43613 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
MAOB P27338 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER2 P43116 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL6960589 0.89 KMT2A (0.45) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL6969207 0.88 SIRT2 (0.39) SIRT2SIRT1DRD2KCNH2MAPT
SCHEMBL6974425 0.87 GBA1 (0.39) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL6972456 0.85 KDM4E (0.40) KDM4EKMT2AMEN1MAPTATM
SCHEMBL6972567 0.85 MAOB (0.42) DRD2KCNH2ALDH1A1KDM4EKMT2A
SCHEMBL6973348 0.85 PARP1 (0.49) ALDH1A1KDM4EKMT2AMEN1PTGER4
SCHEMBL6967397 0.84 SIRT2 (0.45) SIRT2SIRT1ALDH1A1KDM4EKMT2A
SCHEMBL6966047 0.84 ESR1 (0.37) SIRT1KCNH2KMT2AMEN1HDAC3
SCHEMBL6957504 0.83 SIRT2 (0.44) SIRT2SIRT1KCNH2PTGER4
SCHEMBL7628579 0.83 NPC1 (0.56) KDM4EKMT2AMEN1HCRTR1

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