SCHEMBL31442124

SCHEMBL31442124

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 2/20 0.52
▸ EDNRA P25101 1/20 0.51
▸ REN P00797 1/20 0.50
▸ IL1RN P18510 2/20 0.49
▸ ERAP2 Q6P179 2/20 0.49
▸ KISS1R Q969F8 1/20 0.48
▸ ERAP1 Q9NZ08 1/20 0.48

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
SCHEMBL31442130 0.94 GHSR (0.55) GHSREDNRARENKISS1R
SCHEMBL31442242 0.92 GHSR (0.53) GHSRIL1RNERAP2KISS1RERAP1
SCHEMBL29558594 0.92 GHSR (0.56) GHSREDNRARENIL1RNERAP2
SCHEMBL31442126 0.91 GHSR (0.54) GHSRIL1RNERAP2KISS1RERAP1
SCHEMBL31442161 0.90 EDNRA (0.51) GHSREDNRARENIL1RNERAP2
SCHEMBL31442235 0.88 GHSR (0.57) GHSRKISS1R
SCHEMBL31442238 0.88 GHSR (0.55) GHSRIL1RNERAP2KISS1RERAP1
SCHEMBL31391117 0.87 GHSR (0.59) GHSRIL1RNERAP2
SCHEMBL31442345 0.87 GHSR (0.58) GHSRRENKISS1R
SCHEMBL1370378 0.86 GHSR (0.59) GHSRRENKISS1R

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
US-12234299-B2 Peptides for inducing bacteriocin synthesis and methods to identify and/or select and/or optimize the same SYNGULON S.A. (BE) 2025-02-25 — — US disclosed
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