SCHEMBL4592397

SCHEMBL4592397

CCCCC[C@H](CN(O)C=O)C(=O)N(N)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
CCKBR P32239 3/20 0.40
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
HSD11B1 P28845 1/20 0.39
HTR1A P08908 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
SCHEMBL4958420 1.00 TSHR (0.43) TSHRCCKBRKMT2AHPGDHSD11B1
SCHEMBL1596960 0.82 TSHR (0.43) TSHRKMT2AHPGDHTR1A
SCHEMBL2782850 0.82 TSHR (0.43) TSHRKMT2AHPGDHTR1A
SCHEMBL1596956 0.82 TSHR (0.43) TSHRKMT2AHPGDHTR1A
SCHEMBL2783859 0.75 BMP1 (0.60) KMT2AHPGD
SCHEMBL2783856 0.75 BMP1 (0.60) KMT2AHPGD
SCHEMBL6024770 0.70 BMP1 (0.44) TSHRCCKBR
SCHEMBL1597606 0.69 BMP1 (0.42) TSHRKMT2AHPGD
SCHEMBL1597613 0.69 BMP1 (0.42) TSHRKMT2AHPGD
SCHEMBL3321488 0.68 MAPT (0.49) TSHRKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509218-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-03-26 EP disclosed
EP-1827449-A4 THE USE OF NOVEL ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-01-23 EP disclosed
EP-1827449-A2 THE USE OF NOVEL ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-05 EP disclosed
WO-2006055663-A2 THE USE OF NOVEL ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-26 WO disclosed
EP-1509218-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2005-03-02 EP disclosed
WO-2003101442-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 WO disclosed