SCHEMBL6980416

SCHEMBL6980416

C[C@@H](CC(N)=O)CC(=O)N(Cc1ccc(OCCCN(C)C)cc1)C1CCNC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.43
SLC6A4 P31645 6/20 0.43
SLC6A3 Q01959 2/20 0.43
HRH3 Q9Y5N1 2/20 0.42
KCNH2 Q12809 2/20 0.41
HTR2A P28223 8/20 0.41
REN P00797 2/20 0.38
MBTPS1 Q14703 2/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL6981110 0.86 REN (0.44) SLC6A2SLC6A4SLC6A3KCNH2REN
SCHEMBL6981912 0.86 REN (0.44) SLC6A2SLC6A4SLC6A3HRH3KCNH2
SCHEMBL6980413 0.81 HRH3 (0.40) SLC6A2SLC6A4SLC6A3HRH3KCNH2
SCHEMBL6985986 0.76 MBTPS1 (0.44) SLC6A2SLC6A4SLC6A3KCNH2MBTPS1
SCHEMBL7143857 0.73 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2REN
SCHEMBL6979203 0.73 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2REN
SCHEMBL6981910 0.69 REN (0.42) SLC6A2SLC6A4SLC6A3HRH3KCNH2
SCHEMBL6981109 0.69 REN (0.42) SLC6A2SLC6A4SLC6A3KCNH2REN
SCHEMBL8637317 0.68 MBTPS1 (0.49) SLC6A2SLC6A4SLC6A3KCNH2MBTPS1
SCHEMBL4765027 0.67 CTSD (0.45) 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 6 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 claimed
EP-1246619-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-09 EP claimed
WO-2001045700-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-06-28 WO claimed
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