SCHEMBL11569802

SCHEMBL11569802

C[C@@H](NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1)C(=O)N(C[C]=O)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB10 P40306 2/20 0.46
PSMB1 P20618 1/20 0.46
PSMB9 P28065 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46
LTA4H P09960 3/20 0.45
LNPEP Q9UIQ6 3/20 0.43
MAOB P27338 1/20 0.43
REN P00797 1/20 0.42
BCL2 P10415 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL11408288 0.87 OPRD1 (0.43)
SCHEMBL11349856 0.79 LTA4H (0.51) PSMB10PSMB1PSMB9PSMB5PSMB2
SCHEMBL11413653 0.78 ERAP2 (0.42)
SCHEMBL11760152 0.78 LNPEP (0.59) PSMB10PSMB1PSMB9PSMB5PSMB2
SCHEMBL11525882 0.77 OPRD1 (0.59) PSMB10PSMB1PSMB9PSMB5PSMB2
SCHEMBL11350815 0.76 OPRD1 (0.52) PSMB10PSMB1PSMB9PSMB5PSMB2
SCHEMBL11567403 0.76 OPRD1 (0.47) PSMB10PSMB1PSMB9PSMB5PSMB2
SCHEMBL3498389 0.76 MAOB (0.48) LTA4HLNPEPMAOB
SCHEMBL3499282 0.75 LTA4H (0.54) LTA4HLNPEPBCL2
SCHEMBL11349851 0.75 LTA4H (0.48) LTA4HLNPEPMAOB

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
EP-0001684-A2 Tetrapeptides, methods for their preparation and their use in analgesic compositions ELI LILLY AND COMPANY (US) 1979-05-02 EP disclosed