SCHEMBL6970477

SCHEMBL6970477

COc1ccc2c(c1)C(CC(=O)N1CCc3c[c]ccc3C1C(N)=O)CC2=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.46
PARP1 P09874 3/20 0.46
TNKS2 Q9H2K2 3/20 0.46
PARP10 Q53GL7 1/20 0.46
SIGMAR1 Q99720 1/20 0.42
PDE5A O76074 1/20 0.39
RORC P51449 6/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.37
MTNR1B P49286 3/20 0.36
MTNR1A P48039 2/20 0.36
PSMB5 P28074 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 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
SCHEMBL8471788 0.77 TNKS (0.40) TNKSPARP1TNKS2PARP10SIGMAR1
SCHEMBL6973348 0.77 PARP1 (0.49) PARP1SIGMAR1RORCLMNAKDM4E
SCHEMBL6973366 0.74 ACE (0.41) RORCKDM4EMTNR1B
SCHEMBL6968799 0.73 LMNA (0.48) LMNAKDM4EMTNR1BKMT2A
SCHEMBL6461145 0.73 SIGMAR1 (0.53) TNKSPARP1TNKS2PARP10SIGMAR1
SCHEMBL6973916 0.73 TP53 (0.41) RORCMTNR1B
SCHEMBL6961228 0.72 MTNR1B (0.41) RORCMTNR1B
SCHEMBL6957854 0.71 GHSR (0.38) RORCKDM4ECYP2D6MTNR1BKMT2A
SCHEMBL6972676 0.71 ACE (0.36) RORCALDH1A1CYP2D6MTNR1B
SCHEMBL6967120 0.71 MTNR1B (0.42) RORCMTNR1B

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