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Sugi Predict / Compounds / SCHEMBL10596196

SCHEMBL10596196

SCHEMBL10596196

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

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 15/20 0.64
▸ OPRM1 P35372 8/20 0.64
▸ OPRK1 P41145 1/20 0.64

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
SCHEMBL30578473 0.91 OPRD1 (0.67) OPRD1OPRM1OPRK1
SCHEMBL29972996 0.90 OPRD1 (0.75) OPRD1OPRM1OPRK1
SCHEMBL29794150 0.90 OPRD1 (0.70) OPRD1OPRM1OPRK1
SCHEMBL29394698 0.89 OPRD1 (0.76) OPRD1OPRM1OPRK1
SCHEMBL29973200 0.89 OPRD1 (0.76) OPRD1OPRM1OPRK1
SCHEMBL38662814 0.89 OPRD1 (0.64) OPRD1OPRM1OPRK1
SCHEMBL7588269 0.89 OPRD1 (0.59) OPRD1OPRM1OPRK1
SCHEMBL7588275 0.89 OPRD1 (0.59) OPRD1OPRM1OPRK1
SCHEMBL30175915 0.89 OPRD1 (0.59) OPRD1OPRM1OPRK1
Deltorphin SCHEMBL29972920 0.88 OPRD1 (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0326419-A2 Vaccines for the protection of animals against hypodermosis THE UNITED STATES OF AMERICA as represented by THE SECRETARY OF AGRICULTURE (US) 1989-08-02 — — EP claimed
EP-0326419-A2 Vaccines for the protection of animals against hypodermosis THE UNITED STATES OF AMERICA as represented by THE SECRETARY OF AGRICULTURE (US) 1989-08-02 — — EP disclosed