SCHEMBL4769131

SCHEMBL4769131

O=C(O)NC[C@H](C(=O)NC1CCCNCC1O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.40
CPB2 Q96IY4 2/20 0.40
SLC6A1 P30531 2/20 0.32
SLC6A11 P48066 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32
EPHX1 P07099 2/20 0.31
FPR2 P25090 1/20 0.30

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
SCHEMBL7428804 1.00 CPN1 (0.40) CPN1CPB2SLC6A1SLC6A11TSHR
SCHEMBL6591619 0.83 EPHX1 (0.42) CPN1CPB2EPHX1
SCHEMBL4763263 0.75 KMT2A (0.37)
SCHEMBL7428797 0.74 CPN1 (0.38) CPN1CPB2SLC6A1SLC6A11TSHR
SCHEMBL4769110 0.73 CPB2 (0.42) CPN1CPB2
SCHEMBL4769116 0.73 CPB2 (0.42) CPN1CPB2
SCHEMBL6206698 0.73 KDM4E (0.38) CPN1CPB2SLC6A1SLC6A11TSHR
SCHEMBL4762118 0.70 SLC6A2 (0.36) LMNA
SCHEMBL5983633 0.69 CPB2 (0.39) CPN1CPB2SLC6A1SLC6A11TSHR
SCHEMBL3956504 0.69 CTSK (0.40) SMN1; SMN2

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