SCHEMBL6983020

SCHEMBL6983020

C[C@@H](C[CH]C(=O)N(Cc1ccc(OC2CCN(Cc3ccccc3)CC2)c(Cl)c1)[C@H]1CCNC1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 17/20 0.45
MBTPS1 Q14703 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL6984730 0.92 UTS2R (0.44) UTS2RMBTPS1
SCHEMBL6983023 0.85 UTS2R (0.45) UTS2RMBTPS1SLC6A2SLC6A4
SCHEMBL7143855 0.80 SLC6A2 (0.40) UTS2RSLC6A2SLC6A4KCNH2
SCHEMBL7140946 0.79 SLC6A2 (0.40) UTS2RSLC6A2SLC6A4KCNH2
SCHEMBL6984733 0.77 UTS2R (0.46) UTS2RMBTPS1SLC6A2SLC6A4
SCHEMBL6594029 0.76 UTS2R (0.55) UTS2R
SCHEMBL6599108 0.73 MAPK1 (0.39) UTS2RSLC6A2SLC6A4KCNH2
SCHEMBL6981910 0.72 REN (0.42) UTS2RSLC6A2SLC6A4KCNH2
SCHEMBL6981109 0.70 REN (0.42) MBTPS1SLC6A2SLC6A4KCNH2
SCHEMBL6980413 0.69 HRH3 (0.40) MBTPS1SLC6A2SLC6A4KCNH2

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