SCHEMBL6961372

SCHEMBL6961372

NC(=O)C1c2cc[c]cc2CCN1C(=O)Cc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.46
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
ACE P12821 1/20 0.36
DPP4 P27487 1/20 0.36
SIRT1 Q96EB6 1/20 0.35
CNR1 P21554 1/20 0.35
EIF2AK3 Q9NZJ5 1/20 0.35
F2RL1 P55085 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
DRD1 P21728 1/20 0.33
IDH1 O75874 1/20 0.33
KDR P35968 2/20 0.33
POLB P06746 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
SCHEMBL6957978 0.83 SIRT1 (0.41) PARP1KDM4EDPP4SIRT1ALDH1A1
SCHEMBL6960917 0.83 L3MBTL1 (0.43) F2RL1ALDH1A1L3MBTL1POLB
SCHEMBL6974704 0.80 MAPT (0.40) PARP1KDM4EHTTACEALDH1A1
SCHEMBL6968134 0.79 UTS2R (0.40) KDM4EACEALDH1A1SIGMAR1
SCHEMBL6964658 0.78 HTT (0.38) KDM4EHTTACEALDH1A1POLB
SCHEMBL6970725 0.78 SMN1; SMN2 (0.42) KDM4EALDH1A1POLB
SCHEMBL6961296 0.78 ACE (0.46) PARP1ACESIGMAR1L3MBTL1POLB
SCHEMBL6965563 0.78 PARP1 (0.42) PARP1KDM4ESIRT1DRD1
SCHEMBL6961352 0.78 ACE (0.40) PARP1KDM4EACEF2RL1ALDH1A1
SCHEMBL6962466 0.77 ALDH1A1 (0.51) FNTAFNTBKDM4EHTTALDH1A1

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