Sugi Predict

Sugi Predict / Compounds / SCHEMBL29750403

SCHEMBL29750403

SCHEMBL29750403

C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 14/20 0.57
▸ OPRM1 P35372 8/20 0.57
▸ OPRK1 P41145 3/20 0.57
▸ CCKAR P32238 3/20 0.52
▸ CCKBR P32239 3/20 0.52
▸ LTA4H P09960 2/20 0.52

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
SCHEMBL31438238 0.88 MME (0.52) OPRD1OPRM1OPRK1
SCHEMBL18173548 0.87 MME (0.53) OPRD1OPRM1OPRK1LTA4H
SCHEMBL18173547 0.87 MME (0.53) OPRD1OPRM1OPRK1LTA4H
SCHEMBL29365781 0.87 MME (0.53) OPRD1OPRM1OPRK1LTA4H
SCHEMBL31174806 0.87 OPRD1 (0.60) OPRD1OPRM1OPRK1
SCHEMBL31388294 0.87 OPRD1 (0.57) OPRD1OPRM1OPRK1LTA4H
SCHEMBL30064832 0.86 F2 (0.49) OPRD1CCKARCCKBR
SCHEMBL2069306 0.86 OPRD1 (0.60) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL29789582 0.86 OPRD1 (0.65) OPRD1OPRM1OPRK1
SCHEMBL28064932 0.86 LTA4H (0.57) LTA4H

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
WO-2022156190-A1 ANTIHYPERTENSIVE PEPTIDE, LONG-ACTING ANTIHYPERTENSIVE PEPTIDE, AND PREPARATION METHODS THEREFOR 南方海洋科学与工程广东省实验室(湛江) 2022-07-28 — — WO claimed
WO-2022156190-A1 ANTIHYPERTENSIVE PEPTIDE, LONG-ACTING ANTIHYPERTENSIVE PEPTIDE, AND PREPARATION METHODS THEREFOR 南方海洋科学与工程广东省实验室(湛江) 2022-07-28 — — WO disclosed
Send feedback