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SCHEMBL22352135

SCHEMBL22352135

CNCC(=O)NC(CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)NC(C(C)=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 16/20 0.48
▸ OPRM1 P35372 7/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ CCKAR P32238 6/20 0.45
▸ CCKBR P32239 6/20 0.45
▸ MMP1 P03956 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ CASP3 P42574 1/20 0.44
▸ CASP7 P55210 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
SCHEMBL20756477 1.00 OPRD1 (0.48) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL20614626 1.00 OPRD1 (0.48) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL20763011 1.00 OPRD1 (0.48) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL20763448 1.00 OPRD1 (0.48) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL22352358 1.00 OPRD1 (0.48) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL23104903 0.93 OPRD1 (0.47) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL22434527 0.93 OPRD1 (0.47) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL20614509 0.86 MMP1 (0.49) MMP1MMP8CASP3CASP7
SCHEMBL20614625 0.86 MMP1 (0.49) MMP1MMP8CASP3CASP7
SCHEMBL25627130 0.85 PTPN1 (0.52) OPRD1OPRM1OPRK1

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-2020165600-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF BICYCLETX LIMITED (GB) 2020-08-20 — — WO disclosed
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