SCHEMBL7564716

SCHEMBL7564716

CC(CC(N)=O)C(C(=O)N(Cc1ccccc1)C1CCCNCC1=O)c1c(C(=O)O)ccc2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KCNH2 Q12809 1/20 0.31
CFTR P13569 1/20 0.31
GHSR Q92847 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
SCHEMBL4767101 0.75 CTSD (0.37) SLC6A2SLC6A4SLC6A3KCNH2GHSR
SCHEMBL6770905 0.73 GHSR (0.38) SLC6A2SLC6A4SLC6A3KCNH2GHSR
SCHEMBL4936544 0.69 GHSR (0.37) SLC6A2SLC6A4SLC6A3GHSR
SCHEMBL4766714 0.69 GHSR (0.37) SLC6A2SLC6A4SLC6A3GHSR
SCHEMBL7430902 0.68 ALDH1A1 (0.38) SLC6A2SLC6A4GHSR
SCHEMBL6633602 0.66 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6588875 0.65 CTSK (0.39)
SCHEMBL7570056 0.64 OPRM1 (0.47) SLC6A2SLC6A4
SCHEMBL7562358 0.64 ACKR3 (0.45) SLC6A2SLC6A4
SCHEMBL6587495 0.63 TRPM8 (0.35) SLC6A2SLC6A4SLC6A3KCNH2

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-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed