SCHEMBL6979200

SCHEMBL6979200

CC(C)CC(=O)NC(=O)N(Cc1ccc(O[C@@H]2CCNC2)c(Br)c1)[C@H]1CCNC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 7/20 0.43
SLC6A2 P23975 12/20 0.41
SLC6A4 P31645 12/20 0.41
KCNH2 Q12809 4/20 0.41
SLC6A3 Q01959 7/20 0.41
REN P00797 1/20 0.39
CYP2D6 P10635 1/20 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
SCHEMBL6985336 0.97 UTS2R (0.43) UTS2RSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL6979203 0.82 SLC6A2 (0.43) UTS2RSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL6597663 0.78 SLC6A4 (0.42) UTS2RSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL7143857 0.78 SLC6A2 (0.43) UTS2RSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL7140946 0.78 SLC6A2 (0.40) UTS2RSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL7143855 0.75 SLC6A2 (0.40) UTS2RSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL6984733 0.72 UTS2R (0.46) UTS2RSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL6984730 0.69 UTS2R (0.44) UTS2RCYP2D6
SCHEMBL6981912 0.67 REN (0.44) UTS2RSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL5687585 0.66 UTS2R (0.52) UTS2RCYP2D6

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