SCHEMBL6595376

SCHEMBL6595376

C[C@@H](C[CH]C(=O)N[C@H]1CCN(CCc2ccc(O[C@H]3CCNC3)cc2)C1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 10/20 0.52
HRH3 Q9Y5N1 1/20 0.39
LTA4H P09960 2/20 0.39
F10 P00742 6/20 0.39
F2 P00734 3/20 0.39
CCR3 P51677 1/20 0.38

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
SCHEMBL6595381 0.82 UTS2R (0.54) UTS2RHRH3LTA4H
SCHEMBL6597839 0.82 UTS2R (0.62) UTS2R
SCHEMBL17152646 0.81 SIGMAR1 (0.46) HRH3
SCHEMBL6741880 0.78 UTS2R (0.44) UTS2RHRH3
SCHEMBL6744733 0.78 UTS2R (0.44) UTS2RHRH3
SCHEMBL6597270 0.77 UTS2R (0.61) UTS2R
SCHEMBL17152224 0.77 SIGMAR1 (0.58) LTA4H
SCHEMBL6093947 0.76 SMN1; SMN2 (0.44) UTS2R
SCHEMBL6741630 0.74 UTS2R (0.46) UTS2R
SCHEMBL6951628 0.74 UTS2R (0.90) 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 2 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 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