SCHEMBL6979203

SCHEMBL6979203

C[C@@H](CC(N)=O)CC(=O)N(Cc1ccc(O[C@@H]2CCNC2)c(Br)c1)C1CCNC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.43
SLC6A4 P31645 12/20 0.43
SLC6A3 Q01959 5/20 0.43
KCNH2 Q12809 3/20 0.42
UTS2R Q9UKP6 4/20 0.40
REN P00797 2/20 0.39
CYP2D6 P10635 1/20 0.37
MC4R P32245 1/20 0.36
MC3R P41968 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 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
SCHEMBL7143857 0.96 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2UTS2R
SCHEMBL6984733 0.87 UTS2R (0.46) SLC6A2SLC6A4SLC6A3UTS2RCYP2D6
SCHEMBL6981912 0.85 REN (0.44) SLC6A2SLC6A4SLC6A3KCNH2UTS2R
SCHEMBL7140946 0.82 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3KCNH2UTS2R
SCHEMBL6979200 0.82 UTS2R (0.43) SLC6A2SLC6A4SLC6A3KCNH2UTS2R
SCHEMBL6985986 0.80 MBTPS1 (0.44) SLC6A2SLC6A4SLC6A3KCNH2F2
SCHEMBL6597663 0.79 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3KCNH2UTS2R
SCHEMBL7143855 0.79 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3KCNH2UTS2R
SCHEMBL6985336 0.78 UTS2R (0.43) SLC6A2SLC6A4SLC6A3KCNH2UTS2R
SCHEMBL6983023 0.78 UTS2R (0.45) SLC6A2SLC6A4SLC6A3UTS2R

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