SCHEMBL11285137

SCHEMBL11285137

CC(=O)Oc1ccc(C[C@H](N)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N(C)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 15/20 0.55
OPRM1 P35372 9/20 0.55
OPRK1 P41145 2/20 0.55
PSMB1 P20618 1/20 0.40
PSMB9 P28065 1/20 0.40
PSMB5 P28074 1/20 0.40
PSMB10 P40306 1/20 0.40
PSMB2 P49721 1/20 0.40

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
SCHEMBL11418534 0.77 OPRD1 (0.63) OPRD1OPRM1OPRK1
SCHEMBL9971617 0.77 OPRD1 (0.60) OPRD1OPRM1OPRK1
SCHEMBL11353383 0.77 OPRD1 (0.53) OPRD1OPRM1OPRK1
SCHEMBL2027939 0.75 OPRD1 (0.60) OPRD1OPRM1OPRK1
SCHEMBL29973321 0.75 OPRD1 (0.59) OPRD1OPRM1OPRK1
Hydrochloric Acid SCHEMBL8008048 0.74 MMP2 (0.48) OPRD1OPRM1OPRK1
SCHEMBL13594259 0.74 OPRD1 (0.57) OPRD1OPRM1OPRK1
SCHEMBL29689553 0.72 OPRD1 (0.66) OPRD1OPRM1OPRK1
SCHEMBL27243098 0.71 NPY4R (0.59) OPRD1OPRM1OPRK1
SCHEMBL11302360 0.71 OPRD1 (0.71) 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
US-4331593-A TRIPEPTIDE SMITHWICK JR EDWARD L 1982-05-25 US disclosed