SCHEMBL14478092

SCHEMBL14478092

NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 10/20 0.47
▸ LCK P06239 2/20 0.46
▸ PSMB8 P28062 1/20 0.46
▸ PSMB5 P28074 1/20 0.46
▸ CTNNB1 P35222 1/20 0.45
▸ CCKAR P32238 1/20 0.45
▸ KEAP1 Q14145 2/20 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
SCHEMBL20892534 0.82 CCKBR (0.58) CCKBRCCKAR
SCHEMBL14478105 0.82 OPRD1 (0.57) CCKBRLCKCCKAR
SCHEMBL14478119 0.81 CCKBR (0.57) CCKBRCCKAR
SCHEMBL14478033 0.80 CCKBR (0.54) CCKBRCCKAR
SCHEMBL14478123 0.79 CCKBR (0.57) CCKBRCCKAR
SCHEMBL20892745 0.79 CCKBR (0.56) CCKBRCCKAR
SCHEMBL14478115 0.79 CCKBR (0.57) CCKBRCCKAR
SCHEMBL14478159 0.79 CCKBR (0.57) CCKBRCCKAR
SCHEMBL20892784 0.78 CCKBR (0.55) CCKBRCCKAR
SCHEMBL14478118 0.78 CCKBR (0.57) 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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