SCHEMBL7140946

SCHEMBL7140946

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.40
SLC6A4 P31645 11/20 0.40
KCNH2 Q12809 3/20 0.40
SLC6A3 Q01959 6/20 0.40
UTS2R Q9UKP6 5/20 0.39
REN P00797 2/20 0.38
F10 P00742 2/20 0.36
F2 P00734 1/20 0.36
CYP2D6 P10635 2/20 0.35

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
SCHEMBL7143855 0.97 SLC6A2 (0.40) SLC6A2SLC6A4KCNH2SLC6A3UTS2R
SCHEMBL6984730 0.87 UTS2R (0.44) UTS2RCYP2D6
SCHEMBL6981910 0.85 REN (0.42) SLC6A2SLC6A4KCNH2SLC6A3UTS2R
SCHEMBL6979203 0.82 SLC6A2 (0.43) SLC6A2SLC6A4KCNH2SLC6A3UTS2R
SCHEMBL6985983 0.81 F10 (0.43) SLC6A2SLC6A4KCNH2SLC6A3F10
SCHEMBL6598690 0.79 UTS2R (0.38) SLC6A2SLC6A4KCNH2UTS2RCYP2D6
SCHEMBL6598656 0.79 UTS2R (0.38) SLC6A2SLC6A4KCNH2UTS2RCYP2D6
SCHEMBL6983020 0.79 UTS2R (0.45) SLC6A2SLC6A4KCNH2UTS2R
SCHEMBL7143857 0.79 SLC6A2 (0.43) SLC6A2SLC6A4KCNH2SLC6A3UTS2R
SCHEMBL6979200 0.78 UTS2R (0.43) SLC6A2SLC6A4KCNH2SLC6A3UTS2R

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 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