SCHEMBL24899407

SCHEMBL24899407

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

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 5/20 0.63
▸ OPRM1 P35372 4/20 0.63
▸ OPRK1 P41145 1/20 0.63
▸ MME P08473 1/20 0.55

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
SCHEMBL12202126 0.93 CTSC (0.60) OPRD1OPRM1OPRK1MME
SCHEMBL27755089 0.92 ACE (0.60) —
SCHEMBL29437738 0.92 ACE (0.60) —
Phenylalanyltyrosine SCHEMBL3037096 0.90 MME (0.67) OPRD1OPRM1OPRK1MME
Phenylalanyltyrosine SCHEMBL29803603 0.90 MME (0.67) OPRD1OPRM1OPRK1MME
SCHEMBL29531478 0.90 MME (0.67) OPRD1OPRM1OPRK1MME
SCHEMBL8695556 0.90 MME (0.67) OPRD1OPRM1OPRK1MME
SCHEMBL29511618 0.90 MME (0.67) OPRD1OPRM1OPRK1MME
Phenylalanyltyrosine SCHEMBL31255162 0.90 MME (0.67) OPRD1OPRM1OPRK1MME
Phenylalanyltyrosine SCHEMBL4282059 0.90 MME (0.67) OPRD1OPRM1OPRK1MME

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-2023288213-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-19 — — WO disclosed
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