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SCHEMBL14478115

SCHEMBL14478115

Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc2cccc(F)c2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCC(=O)O)C(N)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 15/20 0.57
▸ CCKAR P32238 4/20 0.55

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
SCHEMBL14478159 1.00 CCKBR (0.57) CCKBRCCKAR
SCHEMBL14478118 0.99 CCKBR (0.57) CCKBRCCKAR
SCHEMBL20892745 0.95 CCKBR (0.56) CCKBRCCKAR
SCHEMBL14478155 0.94 CCKBR (0.56) CCKBRCCKAR
SCHEMBL20892743 0.94 CCKBR (0.55) CCKBRCCKAR
SCHEMBL20892784 0.94 CCKBR (0.55) CCKBRCCKAR
SCHEMBL14478125 0.93 CCKBR (0.55) CCKBRCCKAR
SCHEMBL14478117 0.93 CCKBR (0.57) CCKBRCCKAR
SCHEMBL14478158 0.93 CCKBR (0.54) CCKBRCCKAR
SCHEMBL14478101 0.93 CCKBR (0.54) CCKBRCCKAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013001297-A1 BINDING INHIBITORS OF THE BETA.TRANSDUCIN REPEAT - CONTAINING PROTEIN ITI SCOTLAND LIMITED (GB) 2013-01-03 — — WO disclosed
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