SCHEMBL6983023

SCHEMBL6983023

C[C@@H](CC(N)=O)CC(=O)N(Cc1ccc(OC2CCN(Cc3ccccc3)CC2)c(Cl)c1)C1CCNC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 15/20 0.45
OPRM1 P35372 1/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 1/20 0.42
MBTPS1 Q14703 1/20 0.40

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
SCHEMBL6984733 0.92 UTS2R (0.46) UTS2ROPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL6983020 0.85 UTS2R (0.45) UTS2RSLC6A2SLC6A4MBTPS1
SCHEMBL7143857 0.79 SLC6A2 (0.43) UTS2RSLC6A2SLC6A4SLC6A3
SCHEMBL6979203 0.78 SLC6A2 (0.43) UTS2RSLC6A2SLC6A4SLC6A3
SCHEMBL6984730 0.77 UTS2R (0.44) UTS2RMBTPS1
SCHEMBL6599112 0.72 MAPK1 (0.42) UTS2RSLC6A2SLC6A4SLC6A3
SCHEMBL6981912 0.70 REN (0.44) UTS2RSLC6A2SLC6A4SLC6A3
SCHEMBL6981110 0.69 REN (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL6980416 0.68 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3MBTPS1
SCHEMBL6985986 0.67 MBTPS1 (0.44) SLC6A2SLC6A4SLC6A3MBTPS1

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