SCHEMBL6972847

SCHEMBL6972847

NC(=O)C1c2cc[c]cc2CCN1Cc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
DRD2 P14416 1/20 0.39
KCNH2 Q12809 1/20 0.39
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
RECQL P46063 1/20 0.36
VNN1 O95497 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6972428 0.87 DRD2 (0.35) KDM4EDRD2HCRTR1HCRTR2PARP1
SCHEMBL6966047 0.87 ESR1 (0.37) SIRT1KCNH2PARP1
SCHEMBL6970691 0.83 KDM4E (0.32) KDM4ERECQL
SCHEMBL6965834 0.82 ESR1 (0.39)
SCHEMBL6962637 0.81 GAA (0.39) POLBDRD2ALDH1A1TDP1HTT
SCHEMBL6972567 0.81 MAOB (0.42) KDM4EDRD2KCNH2ALDH1A1
SCHEMBL6972456 0.81 KDM4E (0.40) KDM4ETDP1MAPT
SCHEMBL6974425 0.81 GBA1 (0.39) KDM4EPOLBPARP1PARP2ALDH1A1
SCHEMBL6966740 0.81 HDAC1 (0.39) KDM4EDRD2KCNH2ALDH1A1MAPT
SCHEMBL6957978 0.80 SIRT1 (0.41) KDM4ESIRT1DRD2KCNH2HCRTR1

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 5 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
US-5919795-A ATHEROSCLEROSIS THERAPY PFIZER INC. (US) 1999-07-06 US 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