SCHEMBL4582906

SCHEMBL4582906

CCCCC[C@@H](CN(O)C=O)C(=O)NNC1CCN(C(=O)c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 7/20 0.41
PAK1 Q13153 1/20 0.38
MMP12 P39900 1/20 0.38
P2RX7 Q99572 3/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR2B P41595 1/20 0.37
MAPK14 Q16539 1/20 0.37
RAB9A P51151 1/20 0.35

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
SCHEMBL1595933 1.00 BMP1 (0.41) BMP1PAK1MMP12P2RX7CYP2C9
SCHEMBL1595935 1.00 BMP1 (0.41) BMP1PAK1MMP12P2RX7CYP2C9
SCHEMBL2782850 0.84 TSHR (0.43) BMP1
SCHEMBL1596956 0.84 TSHR (0.43) BMP1
SCHEMBL1596960 0.84 TSHR (0.43) BMP1
SCHEMBL1596337 0.80 BMP1 (0.49) BMP1
SCHEMBL1596338 0.80 BMP1 (0.49) BMP1
SCHEMBL1596333 0.80 BMP1 (0.49) BMP1
SCHEMBL1596984 0.78 ALDH1A1 (0.47) BMP1MMP12RAB9A
SCHEMBL1596987 0.78 ALDH1A1 (0.47) BMP1MMP12RAB9A

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 3 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-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