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Sugi Predict / Compounds / SCHEMBL29679584

SCHEMBL29679584

SCHEMBL29679584

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.53
▸ OPRK1 P41145 1/20 0.48
▸ KISS1R Q969F8 4/20 0.47
▸ GLP1R P43220 1/20 0.47
▸ GCGR P47871 1/20 0.47
▸ GIPR P48546 1/20 0.47

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
SCHEMBL29679778 0.92 BACE1 (0.53) BACE1OPRK1KISS1R
SCHEMBL29679696 0.91 PTPN1 (0.54) BACE1KISS1R
SCHEMBL29679758 0.90 BACE1 (0.60) BACE1GLP1RGCGRGIPR
SCHEMBL29679940 0.89 BACE1 (0.52) BACE1KISS1R
SCHEMBL30799314 0.88 BACE1 (0.55) BACE1OPRK1KISS1R
SCHEMBL30130346 0.88 BACE1 (0.57) BACE1
SCHEMBL29679768 0.86 BACE1 (0.50) BACE1OPRK1KISS1R
SCHEMBL29591734 0.86 NPY4R (0.49) —
SCHEMBL31484077 0.86 BACE1 (0.58) BACE1
SCHEMBL29733692 0.86 NPY4R (0.56) BACE1OPRK1KISS1R

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-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 — — WO disclosed
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