SCHEMBL6966573

SCHEMBL6966573

CC(C)(C)OC(=O)N1CCc2cc([N+](=O)[O-])c(Br)cc2C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.56
NR1H2 P55055 1/20 0.55
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KCNH2 Q12809 1/20 0.43
MAPK1 P28482 1/20 0.41
HDAC1 Q13547 1/20 0.40
HPGD P15428 1/20 0.39
ABHD6 Q9BV23 2/20 0.39
DRD2 P14416 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
GAA P10253 1/20 0.38
P2RX3 P56373 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 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
SCHEMBL31335703 1.00 ESR2 (0.56) ESR2NR1H2MAPTLMNAALDH1A1
SCHEMBL29557441 1.00 ESR2 (0.56) ESR2NR1H2MAPTLMNAALDH1A1
SCHEMBL28380071 0.87 ESR2 (0.60) ESR2NR1H2MAPTLMNAALDH1A1
SCHEMBL30875704 0.87 ESR2 (0.60) ESR2NR1H2MAPTLMNAALDH1A1
SCHEMBL18875033 0.87 ESR2 (0.57) ESR2NR1H2MAPTLMNAALDH1A1
SCHEMBL30184058 0.87 ESR2 (0.60) ESR2NR1H2MAPTLMNAALDH1A1
SCHEMBL18875037 0.87 ESR2 (0.57) ESR2NR1H2MAPTLMNAALDH1A1
SCHEMBL30800577 0.86 ESR2 (0.59) ESR2NR1H2MAPTLMNAALDH1A1
SCHEMBL29390905 0.86 ESR2 (0.59) ESR2NR1H2MAPTLMNAALDH1A1
SCHEMBL29741541 0.86 ESR2 (0.56) ESR2NR1H2MAPTLMNAALDH1A1

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 8 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
US-6121283-A Apo B-secretion/MTP inhibitory amides PFIZER INC (US) 2000-09-19 US disclosed
EP-0944602-A1 APO B-SECRETION/MTP INHIBITORY AMIDES PFIZER INC. (US) 1999-09-29 EP disclosed
US-5919795-A ATHEROSCLEROSIS THERAPY PFIZER INC. (US) 1999-07-06 US disclosed
WO-1998023593-A1 APO B-SECRETION/MTP INHIBITORY AMIDES PFIZER INC. (US) 1998-06-04 WO 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