SCHEMBL6973729

SCHEMBL6973729

NC(=O)C1c2cc[c]cc2CCN1C(=O)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
ALOX12 P18054 1/20 0.40
BPTF Q12830 1/20 0.38
HSD11B1 P28845 2/20 0.34
DPP4 P27487 1/20 0.34
TSHR P16473 1/20 0.33
ACE P12821 1/20 0.33
P2RX7 Q99572 3/20 0.33
LMNA P02545 1/20 0.33
GRM1 Q13255 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL6975684 0.84 HSD11B1 (0.44) ALDH1A1HSD11B1TSHRLMNAGRM1
SCHEMBL6960911 0.80 ACE (0.36) ACE
SCHEMBL6973366 0.79 ACE (0.41) ACEKDM4E
SCHEMBL6957854 0.78 GHSR (0.38) ACEKDM4E
SCHEMBL6972676 0.78 ACE (0.36) ALDH1A1ACE
SCHEMBL6973580 0.77 ACE (0.35) DPP4ACE
SCHEMBL6973916 0.77 TP53 (0.41) ACE
SCHEMBL6961352 0.77 ACE (0.40) ALDH1A1TSHRACELMNAKDM4E
SCHEMBL3873900 0.77 SIRT1 (0.40) TSHRACE
SCHEMBL6969330 0.76 LMNA (0.42) ALDH1A1ACELMNAKDM4E

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