SCHEMBL6596908

SCHEMBL6596908

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

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 19/20 0.49
CCR3 P51677 1/20 0.44

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
SCHEMBL6596427 0.89 UTS2R (0.63) UTS2R
SCHEMBL6595055 0.87 UTS2R (0.64) UTS2R
SCHEMBL6596373 0.87 UTS2R (0.50) UTS2RCCR3
SCHEMBL6596912 0.83 UTS2R (0.59) UTS2R
SCHEMBL6948683 0.77 UTS2R (0.80) UTS2R
SCHEMBL6944246 0.77 UTS2R (0.80) UTS2R
SCHEMBL17152608 0.76 BACE1 (0.53)
SCHEMBL6597043 0.73 UTS2R (0.62) UTS2R
SCHEMBL6597270 0.73 UTS2R (0.61) UTS2R
SCHEMBL6594029 0.73 UTS2R (0.55) UTS2RCCR3

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 4 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
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-B1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-20 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