SCHEMBL30118962

SCHEMBL30118962

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)CC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ENPEP Q07075 5/20 0.49
▸ F2 P00734 2/20 0.46
▸ FOLH1 Q04609 1/20 0.45
▸ GRIN2D O15399 1/20 0.43
▸ GRIN3B O60391 1/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2A Q12879 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ GRIN2C Q14957 1/20 0.43
▸ GRIN3A Q8TCU5 1/20 0.43
▸ BACE1 P56817 2/20 0.40

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
SCHEMBL29934217 0.94 ENPEP (0.50) ENPEPF2FOLH1GRIN2DGRIN3B
SCHEMBL29455891 0.94 ENPEP (0.51) ENPEPF2FOLH1GRIN2DGRIN3B
SCHEMBL29455706 0.94 ENPEP (0.53) ENPEPF2FOLH1GRIN2DGRIN3B
SCHEMBL29603899 0.94 ENPEP (0.51) ENPEPF2FOLH1GRIN2DGRIN3B
SCHEMBL29603233 0.94 ENPEP (0.51) ENPEPF2FOLH1GRIN2DGRIN3B
SCHEMBL23230150 0.94 ENPEP (0.51) ENPEPF2FOLH1GRIN2DGRIN3B
SCHEMBL23230086 0.91 ENPEP (0.47) ENPEPF2FOLH1GRIN2DGRIN3B
SCHEMBL29705999 0.90 ENPEP (0.54) ENPEPFOLH1
SCHEMBL29705972 0.90 ENPEP (0.54) ENPEPFOLH1
SCHEMBL31013212 0.90 BACE1 (0.48) ENPEPF2FOLH1GRIN2DGRIN3B

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
CN-113061190-B HIV N peptide fusion peptide inhibitor MTQ-N36 and application thereof 哈尔滨医科大学 2022-12-13 — — CN disclosed
Send feedback