SCHEMBL21581715

SCHEMBL21581715

CCOC(=O)CCSC(=O)C(C)NC(=O)[C@H](CC(N)=O)NC(=O)C(C)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 10/20 0.44
▸ OPRM1 P35372 6/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ CCKBR P32239 7/20 0.41
▸ APC P25054 1/20 0.41

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
SCHEMBL21581711 0.94 OPRD1 (0.45) OPRD1OPRM1OPRK1CCKBRAPC
SCHEMBL21581727 0.84 OPRD1 (0.47) OPRD1OPRM1OPRK1CCKBR
SCHEMBL21581702 0.78 OPRD1 (0.46) OPRD1OPRM1OPRK1
SCHEMBL26454205 0.77 NPY4R (0.59) —
SCHEMBL25627199 0.74 OPRD1 (0.46) OPRD1OPRM1OPRK1
SCHEMBL26454247 0.73 NPY4R (0.57) —
SCHEMBL21581708 0.72 NPY4R (0.55) —
SCHEMBL15839930 0.72 OPRD1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL22435589 0.72 OPRD1 (0.52) OPRD1CCKBR
SCHEMBL17074564 0.71 OPRD1 (0.65) OPRD1OPRM1OPRK1APC

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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