SCHEMBL30130714

SCHEMBL30130714

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 13/20 0.46
▸ FNTB P49356 13/20 0.46
▸ PGGT1B P53609 8/20 0.46
▸ ENPEP Q07075 5/20 0.46
▸ BACE1 P56817 1/20 0.44

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
SCHEMBL29914213 0.90 BACE1 (0.50) ENPEPBACE1
SCHEMBL31157662 0.87 ENPEP (0.52) ENPEPBACE1
SCHEMBL31534587 0.87 BACE1 (0.47) ENPEPBACE1
SCHEMBL30339774 0.86 BACE1 (0.45) ENPEPBACE1
SCHEMBL30311080 0.85 ENPEP (0.47) ENPEP
SCHEMBL30173876 0.84 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL30463242 0.84 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL31157669 0.84 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL29931628 0.84 ENPEP (0.53) FNTAFNTBENPEPBACE1
SCHEMBL30148464 0.84 NPY4R (0.48) ENPEP

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
EP-4104867-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES COLD SPRING HARBOR LABORATORY (US) 2022-12-21 — — EP disclosed
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