SCHEMBL6974425

SCHEMBL6974425

Cc1cccc(CN2CCc3c[c]ccc3C2C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 2/20 0.38
GAA P10253 1/20 0.37
BRD4 O60885 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AMPD2 Q01433 1/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACHE P22303 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL6965834 0.88 ESR1 (0.39) ACHE
SCHEMBL6972456 0.88 KDM4E (0.40) KDM4ETDP1MAPTAMPD2MEN1
SCHEMBL6972567 0.88 MAOB (0.42) ALDH1A1KDM4EKMT2A
SCHEMBL6971131 0.87 SIRT2 (0.43) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL6966047 0.87 ESR1 (0.37) PARP1GAASMN1; SMN2MEN1KMT2A
SCHEMBL6957504 0.86 SIRT2 (0.44) BRD4
SCHEMBL6967397 0.85 SIRT2 (0.45) ALDH1A1KDM4ETDP1MAPTSMN1; SMN2
SCHEMBL6974038 0.85 ALDH1A1 (0.42) ALDH1A1KDM4EPARP1GAASMN1; SMN2
SCHEMBL6973895 0.85 ALDH1A1 (0.37) ALDH1A1MAPTPOLBPRMT5WDR77
SCHEMBL6960589 0.84 KMT2A (0.45) ALDH1A1KDM4ETDP1GAAMAPT

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