SCHEMBL6971211

SCHEMBL6971211

COC1CCCC(C(=O)N2CCc3c[c]ccc3C2C(N)=O)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.38
MTNR1B P49286 4/20 0.35
F11 P03951 2/20 0.33
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 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
SCHEMBL6967292 0.88 KEAP1 (0.38) MTNR1BF11ALDH1A1HPGD
SCHEMBL6969807 0.84 KEAP1 (0.42) MTNR1BF11KDM4EALDH1A1
SCHEMBL4503987 0.83 F11 (0.40) MTNR1BF11KDM4EUSP2ALDH1A1
SCHEMBL6972439 0.76 RORC (0.34) F11KDM4E
SCHEMBL3873900 0.76 SIRT1 (0.40) MTNR1B
SCHEMBL6975049 0.76 PARP1 (0.43) HSD11B1
SCHEMBL6962527 0.73 ACE (0.40) MTNR1B
SCHEMBL6962545 0.73 MEN1 (0.41)
SCHEMBL6960958 0.72 F2 (0.36) F11ALDH1A1DPP7
SCHEMBL6961455 0.71 HSD11B1 (0.35) HSD11B1KDM4E

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