SCHEMBL4763263

SCHEMBL4763263

O=C(O)NC[C@H](C(=O)NC1CCCNCC1O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
CHRM1 P11229 1/20 0.36
GBA1 P04062 1/20 0.35
SSTR4 P31391 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL4762118 0.89 SLC6A2 (0.36) KMT2AMEN1
SCHEMBL7428804 0.75 CPN1 (0.40)
SCHEMBL4769131 0.75 CPN1 (0.40)
SCHEMBL4763256 0.75 ALDH1A1 (0.45)
SCHEMBL4763260 0.75 ALDH1A1 (0.45)
SCHEMBL4762115 0.70 BDKRB2 (0.46)
SCHEMBL4762112 0.70 BDKRB2 (0.46)
SCHEMBL3956512 0.69 CTSK (0.40)
SCHEMBL3956504 0.69 CTSK (0.40)
SCHEMBL4689601 0.68 CTSK (0.66)

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-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed