SCHEMBL14478105

SCHEMBL14478105

NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.57
▸ CCKBR P32239 12/20 0.53
▸ LCK P06239 2/20 0.52
▸ APC P25054 3/20 0.52
▸ CCKAR P32238 2/20 0.47

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
SCHEMBL14478103 0.90 APC (0.60) OPRD1CCKBRAPC
SCHEMBL14478149 0.85 APC (0.54) APC
SCHEMBL14478092 0.82 CCKBR (0.47) CCKBRLCKCCKAR
SCHEMBL14478152 0.81 APC (0.51) OPRD1CCKBRAPC
SCHEMBL14478026 0.79 LCK (0.53) OPRD1CCKBRLCKAPCCCKAR
SCHEMBL14478093 0.78 APC (0.44) CCKBRLCKAPCCCKAR
SCHEMBL26427643 0.78 HRH4 (0.48) —
SCHEMBL14478119 0.77 CCKBR (0.57) CCKBRCCKAR
SCHEMBL29540311 0.77 NAALAD2 (0.59) OPRD1APC
SCHEMBL14122653 0.76 MMP2 (0.64) APC

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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