SCHEMBL6967882

SCHEMBL6967882

Nc1ccc2c(c1)CCN(C(=O)c1ccco1)C2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.65
MAPT P10636 3/20 0.65
MDM2 Q00987 1/20 0.65
LMNA P02545 2/20 0.54
GAA P10253 2/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX12 P18054 1/20 0.54
CYP2C19 P33261 1/20 0.54
GFER P55789 1/20 0.54
NPSR1 Q6W5P4 2/20 0.51
HTT P42858 1/20 0.51
PKM P14618 2/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ESR1 P03372 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL31530569 0.84 ALDH1A1 (0.66) ALDH1A1MAPTMDM2LMNACYP2C9
SCHEMBL6972828 0.79 HPGD (0.56) ALDH1A1LMNACYP2C19MEN1HPGD
SCHEMBL381428 0.76 NR1H2 (0.56) MAPTMEN1ESR1KMT2ANPC1
SCHEMBL31530558 0.76 NAMPT (0.61) ALDH1A1MAPTMDM2LMNAGAA
SCHEMBL3858227 0.75 NOTUM (0.63) MAPTGFERMEN1ESR1KMT2A
SCHEMBL6968133 0.75 MEN1 (0.62) ALDH1A1LMNAGAAHTTMEN1
SCHEMBL6961213 0.74 MEN1 (0.65) ALDH1A1LMNACYP2C19HTTMEN1
SCHEMBL6969205 0.74 GAA (0.65) ALDH1A1MAPTLMNAGAAALOX12
SCHEMBL6974860 0.73 GAA (0.55) ALDH1A1MAPTLMNAGAANPSR1
SCHEMBL6961304 0.73 ALDH1A1 (0.53) ALDH1A1GAATSHRMEN1POLB

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