SCHEMBL6973736

SCHEMBL6973736

Nc1ccc2c(c1)CCN(C(=O)CC13CC4CC(CC(C4)C1)C3)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ DPP4 P27487 1/20 0.49
▸ BPTF Q12830 1/20 0.48
▸ HSD11B1 P28845 2/20 0.46
▸ NR1H2 P55055 1/20 0.44
▸ TSHR P16473 1/20 0.41
▸ P2RX7 Q99572 1/20 0.40
▸ GRM1 Q13255 1/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DPP8 Q6V1X1 3/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ HSD17B3 P37058 1/20 0.38

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
SCHEMBL3456257 0.84 ALDH1A1 (0.76) ALDH1A1ALOX12DPP4BPTFHSD11B1
SCHEMBL6975690 0.81 HSD11B1 (0.70) ALDH1A1DPP4HSD11B1NR1H2TSHR
SCHEMBL3322456 0.79 ALDH1A1 (0.58) ALDH1A1ALOX12LMNAMAPTMAPK1
SCHEMBL6960916 0.76 NR1H2 (0.48) DPP4NR1H2TSHRMAPTHPGD
SCHEMBL3321989 0.76 ALDH1A1 (0.53) ALDH1A1ALOX12DPP4BPTFHSD11B1
SCHEMBL3322835 0.75 ALDH1A1 (0.52) ALDH1A1ALOX12BPTFLMNAMAPT
SCHEMBL6973945 0.75 NR1H2 (0.52) ALDH1A1NR1H2TSHRLMNAMAPT
SCHEMBL13498396 0.74 ENPP2 (0.47) ALDH1A1NR1H2MAPTNPSR1DPP8
SCHEMBL6969337 0.74 ALDH1A1 (0.67) ALDH1A1DPP4NR1H2LMNAMAPT
SCHEMBL6972682 0.74 NR1H2 (0.51) DPP4NR1H2L3MBTL1DPP8DPP7

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
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