SCHEMBL6965563

SCHEMBL6965563

NC(=O)C1c2cc[c]cc2CCN1C(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.38
OPRD1 P41143 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GFER P55789 1/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 1/20 0.35
ME2 P23368 1/20 0.35
ME1 P48163 1/20 0.35
ME3 Q16798 1/20 0.35
DRD1 P21728 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD11B1 P28845 1/20 0.34
SIRT1 Q96EB6 1/20 0.34

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
SCHEMBL6970725 0.89 SMN1; SMN2 (0.42) KDM4EOPRD1ME2ME1ME3
SCHEMBL6962485 0.88 PARP1 (0.47) PARP1KDM4EOPRD1PTGDR2ATM
SCHEMBL6974704 0.87 MAPT (0.40) PARP1KDM4EOPRD1GAA
SCHEMBL6965869 0.86 ALDH1A1 (0.50) KDM4EMEN1KMT2A
SCHEMBL6962976 0.85 ERCC1 (0.45) PARP1CYP2C9DRD1KMT2ASIRT1
SCHEMBL6968134 0.83 UTS2R (0.40) HPGDKDM4EOPRD1PTGDR2MEN1
SCHEMBL6962637 0.83 GAA (0.39) GAAMEN1KMT2A
SCHEMBL6974644 0.83 CYP1A2 (0.40) PARP1KDM4EOPRD1CYP2C9CYP2C19
SCHEMBL6968799 0.81 LMNA (0.48) KDM4EKMT2A
SCHEMBL6961352 0.80 ACE (0.40) PARP1HPGDKDM4EMEN1KMT2A

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 2 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