SCHEMBL31267948

SCHEMBL31267948

NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.49
▸ C5AR1 P21730 2/20 0.49
▸ CCKBR P32239 2/20 0.48
▸ CCKAR P32238 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ ERAP2 Q6P179 1/20 0.48
▸ GHSR Q92847 2/20 0.47
▸ CXCR4 P61073 1/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ CTSL P07711 3/20 0.45
▸ CTSS P25774 3/20 0.45
▸ CTSK P43235 3/20 0.45
▸ CTSH P09668 1/20 0.45
▸ KISS1R Q969F8 1/20 0.45

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
SCHEMBL30974480 0.93 CCKBR (0.50) PRMT1C5AR1CCKBRCCKAROPRD1
SCHEMBL9390818 0.92 PRMT1 (0.53) PRMT1C5AR1CCKBRCCKAROPRD1
SCHEMBL9390811 0.92 PRMT1 (0.53) PRMT1C5AR1CCKBRCCKAROPRD1
SCHEMBL30974064 0.92 GLP1R (0.50) C5AR1CCKBRCCKAROPRD1GHSR
SCHEMBL30518108 0.91 GHSR (0.52) PRMT1C5AR1OPRD1GHSR
SCHEMBL30511103 0.91 CCKBR (0.48) PRMT1C5AR1CCKBRCCKAROPRD1
SCHEMBL30974091 0.89 C5AR1 (0.57) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL29484172 0.88 C5AR1 (0.59) PRMT1C5AR1GHSRCXCR4CTSL
SCHEMBL31105637 0.87 GHSR (0.60) C5AR1GHSRKISS1R
SCHEMBL29701396 0.87 GHSR (0.55) GHSR

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-119073492-A Antibacterial agent, antibacterial method and application 上海市农业科学院 2024-12-06 — — CN disclosed
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