SCHEMBL6980413

SCHEMBL6980413

C[C@@H](C[CH]C(=O)N(Cc1ccc(OCCCN(C)C)cc1)[C@H]1CCNC1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
KCNH2 Q12809 2/20 0.39
HTR2A P28223 10/20 0.39
SLC6A3 Q01959 3/20 0.39
REN P00797 2/20 0.37
MBTPS1 Q14703 3/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL6981910 0.87 REN (0.42) HRH3SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL6981109 0.87 REN (0.42) SLC6A2SLC6A4KCNH2SLC6A3REN
SCHEMBL6980416 0.81 SLC6A2 (0.43) HRH3SLC6A2SLC6A4KCNH2HTR2A
SCHEMBL6985983 0.77 F10 (0.43) SLC6A2SLC6A4KCNH2SLC6A3MBTPS1
SCHEMBL7140946 0.75 SLC6A2 (0.40) SLC6A2SLC6A4KCNH2SLC6A3REN
SCHEMBL7143855 0.75 SLC6A2 (0.40) SLC6A2SLC6A4KCNH2SLC6A3REN
SCHEMBL6983020 0.69 UTS2R (0.45) SLC6A2SLC6A4KCNH2MBTPS1
SCHEMBL6981912 0.69 REN (0.44) HRH3SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL6981110 0.69 REN (0.44) SLC6A2SLC6A4KCNH2SLC6A3REN
SCHEMBL6984730 0.69 UTS2R (0.44) MBTPS1

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