SCHEMBL6596375

SCHEMBL6596375

CC(C)C[C@H](N)C(=O)N[C@H]1CCN(Cc2ccc(I)c(OCCN3CCNCC3)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 18/20 0.52
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
HTR7 P34969 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
SCHEMBL6596912 0.86 UTS2R (0.59) UTS2R
SCHEMBL6596373 0.84 UTS2R (0.50) UTS2RHTR7
SCHEMBL6949854 0.78 UTS2R (0.81) UTS2R
SCHEMBL6949845 0.78 UTS2R (0.81) UTS2R
SCHEMBL6597273 0.77 UTS2R (0.68) UTS2R
SCHEMBL6596429 0.75 UTS2R (0.65) UTS2R
SCHEMBL6597841 0.75 UTS2R (0.65) UTS2R
SCHEMBL17152610 0.74 BACE1 (0.56) UTS2R
SCHEMBL7401888 0.74 BACE1 (0.56) UTS2R
SCHEMBL7408973 0.74 BACE1 (0.56) UTS2R

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246619-B1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-20 EP claimed
EP-1246619-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP claimed
US-6514970-B1 Pyrrolidines such as benzo(b)thiophene-2-carboxylic acid ((S)-1-((S)-1-(4-(1-benzyl-piperidin-4-yloxy)-3-chloro-benzyl)-pyrrolidin-3 -ylcarbamoyl)-3- methyl-butyl)-amide SMITHKLINE BEECHAM CORPORATION 2003-02-04 US 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-B1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-20 EP disclosed
EP-1246619-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
US-6514970-B1 Pyrrolidines such as benzo(b)thiophene-2-carboxylic acid ((S)-1-((S)-1-(4-(1-benzyl-piperidin-4-yloxy)-3-chloro-benzyl)-pyrrolidin-3 -ylcarbamoyl)-3- methyl-butyl)-amide SMITHKLINE BEECHAM CORPORATION 2003-02-04 US 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