SCHEMBL31146254

SCHEMBL31146254

N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 2/20 0.50
▸ ERAP2 Q6P179 1/20 0.50
▸ PRKACB P22694 1/20 0.49
▸ NPBWR1 P48145 2/20 0.49
▸ SIRT5 Q9NXA8 1/20 0.48
▸ IL23R Q5VWK5 2/20 0.47
▸ PRMT1 Q99873 1/20 0.47
▸ KISS1R Q969F8 1/20 0.47
▸ UTS2R Q9UKP6 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
SCHEMBL29462956 0.96 ERAP2 (0.53) ERAP2NPBWR1SIRT5PRMT1KISS1R
SCHEMBL29462962 0.96 ERAP2 (0.53) ERAP2NPBWR1SIRT5PRMT1KISS1R
SCHEMBL29483772 0.94 GHSR (0.56) GHSRPRKACBNPBWR1PRMT1UTS2R
SCHEMBL29483771 0.94 GHSR (0.56) GHSRPRKACBNPBWR1PRMT1UTS2R
SCHEMBL29483773 0.94 GHSR (0.56) GHSRPRKACBNPBWR1PRMT1UTS2R
SCHEMBL30138656 0.93 GHSR (0.56) GHSRPRKACBNPBWR1PRMT1UTS2R
SCHEMBL31146271 0.92 ERAP2 (0.57) GHSRERAP2PRKACBNPBWR1IL23R
SCHEMBL29799941 0.92 KDM4E (0.54) ERAP2PRMT1KISS1R
SCHEMBL30919239 0.92 GHSR (0.61) GHSRNPBWR1
SCHEMBL30919237 0.92 KISS1R (0.54) GHSRERAP2SIRT5KISS1R

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-4688805-A1 CYCLIC D-PEPTIDES, DERIVATIVES, COMPOSITIONS AND USES THEREOF Immune System Key Ltd. (IL) 2026-02-11 — — EP disclosed
WO-2024228200-A1 CYCLIC D-PEPTIDES, DERIVATIVES, COMPOSITIONS AND USES THEREOF IMMUNE SYSTEM KEY LTD. (IL) 2024-11-07 — — WO disclosed
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