SCHEMBL31138844

SCHEMBL31138844

CCCCCC(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 3/20 0.50
▸ SLC15A2 Q16348 1/20 0.47
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ APLNR P35414 2/20 0.41
▸ NOD1 Q9Y239 4/20 0.41
▸ TLR2 O60603 3/20 0.39
▸ C5AR1 P21730 1/20 0.39
▸ GRIA1 P42261 1/20 0.38
▸ NMT2 O60551 1/20 0.38
▸ NMT1 P30419 1/20 0.38
▸ NPBWR1 P48145 1/20 0.37

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
SCHEMBL1163474 0.99 SLC6A5 (0.52) SLC6A5SLC15A2ITGB3ITGA2BAPLNR
SCHEMBL322731 0.99 SLC6A5 (0.52) SLC6A5SLC15A2ITGB3ITGA2BAPLNR
SCHEMBL29467847 0.96 SLC6A5 (0.49) SLC6A5SLC15A2ITGB3ITGA2BAPLNR
SCHEMBL17844295 0.90 SLC6A5 (0.52) SLC6A5ITGB3ITGA2BAPLNRNOD1
SCHEMBL17844297 0.90 SLC6A5 (0.52) SLC6A5ITGB3ITGA2BAPLNRNOD1
SCHEMBL9184545 0.89 SLC15A2 (0.56) SLC6A5SLC15A2ITGB3ITGA2BC5AR1
SCHEMBL30562642 0.89 SLC6A5 (0.52) SLC6A5SLC15A2ITGB3ITGA2BAPLNR
SCHEMBL30716920 0.89 SLC6A5 (0.52) SLC6A5SLC15A2ITGB3ITGA2BAPLNR
SCHEMBL29941942 0.89 SLC6A5 (0.52) SLC6A5SLC15A2ITGB3ITGA2BAPLNR
SCHEMBL29942005 0.88 SLC6A5 (0.51) SLC6A5SLC15A2ITGB3ITGA2BAPLNR

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-118680840-A Topical compositions 玫琳凯有限公司 2024-09-24 — — CN claimed
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