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SCHEMBL21581726

SCHEMBL21581726

N=CC(C(=O)N[C@@H](CO)C(=O)N1CCCC1C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O)[C@H](S)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.53
▸ OPRD1 P41143 5/20 0.53
▸ BDKRB2 P30411 1/20 0.48
▸ OPRK1 P41145 1/20 0.46

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
SCHEMBL17722485 0.91 OPRM1 (0.56) OPRM1OPRD1BDKRB2OPRK1
SCHEMBL17722493 0.91 OPRM1 (0.56) OPRM1OPRD1BDKRB2OPRK1
SCHEMBL26455037 0.90 OPRM1 (0.54) OPRM1OPRD1BDKRB2OPRK1
SCHEMBL21581735 0.86 OPRM1 (0.55) OPRM1OPRD1BDKRB2
SCHEMBL26454172 0.85 OPRM1 (0.58) OPRM1OPRD1
SCHEMBL21581709 0.85 OPRM1 (0.58) OPRM1OPRD1
SCHEMBL21581716 0.84 OPRM1 (0.56) OPRM1OPRD1
SCHEMBL21581737 0.83 OPRM1 (0.55) OPRM1OPRD1
SCHEMBL29590305 0.81 OPRM1 (0.60) OPRM1OPRD1BDKRB2
SCHEMBL26454528 0.81 OPRM1 (0.51) OPRM1OPRD1BDKRB2

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-2019222805-A1 NEW SYNTHETIC METHODS USING NATIVE CHEMICAL LIGATION IN FLOW THE UNIVERSITY OF SYDNEY (AU) 2019-11-28 — — WO disclosed
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