SCHEMBL6985986

SCHEMBL6985986

C[C@@H](CC(N)=O)CC(=O)N(CCc1ccc(O[C@H]2CCNC2)cc1)C1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MBTPS1 Q14703 6/20 0.44
F10 P00742 7/20 0.43
F2 P00734 4/20 0.43
SLC6A2 P23975 7/20 0.38
SLC6A4 P31645 7/20 0.38
KCNH2 Q12809 1/20 0.38
SLC6A3 Q01959 2/20 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
SCHEMBL6985983 0.81 F10 (0.43) MBTPS1F10F2SLC6A2SLC6A4
SCHEMBL6979203 0.80 SLC6A2 (0.43) F10F2SLC6A2SLC6A4KCNH2
SCHEMBL7143857 0.76 SLC6A2 (0.43) SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL6980416 0.76 SLC6A2 (0.43) MBTPS1SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL6598738 0.76 F10 (0.38) F10F2SLC6A2SLC6A4KCNH2
SCHEMBL6599638 0.73 F10 (0.39) F10F2SLC6A2SLC6A4
SCHEMBL6986072 0.72 F10 (0.37) MBTPS1F10F2
SCHEMBL6600076 0.71 F10 (0.36) F10F2SLC6A2SLC6A4
SCHEMBL6601397 0.70 F10 (0.34) MBTPS1F10F2SLC6A2SLC6A4
SCHEMBL6981912 0.69 REN (0.44) SLC6A2SLC6A4KCNH2SLC6A3

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-1246619-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
EP-1246619-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-09 EP disclosed
WO-2001045700-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-06-28 WO disclosed