SCHEMBL30434218

SCHEMBL30434218

COC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 12/20 0.59
▸ NPY1R P25929 7/20 0.59
▸ NPY2R P49146 5/20 0.49
▸ NPY5R Q15761 5/20 0.49
▸ DPP7 Q9UHL4 1/20 0.41
▸ ERAP2 Q6P179 5/20 0.38
▸ LNPEP Q9UIQ6 3/20 0.38
▸ ERAP1 Q9NZ08 3/20 0.37
▸ NOD1 Q9Y239 1/20 0.37
▸ GNAI3 P08754 1/20 0.37
▸ GNAO1 P09471 1/20 0.37
▸ GNAI1 P63096 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
Hydrochloric Acid SCHEMBL30380134 0.99 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5RDPP7
Hydrochloric Acid SCHEMBL29726986 0.99 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5RDPP7
Hydrochloric Acid SCHEMBL29508688 0.99 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL30379845 0.97 NPY4R (0.63) NPY4RNPY1RNPY2RNPY5RDPP7
Hydrochloric Acid SCHEMBL30379307 0.96 NPY4R (0.62) NPY4RNPY1RNPY2RNPY5RDPP7
Hydrochloric Acid SCHEMBL29508677 0.96 NPY4R (0.62) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL10792564 0.94 NPY4R (0.57) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL10792547 0.94 NPY4R (0.57) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL18671821 0.92 NPY4R (0.52) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL463466 0.91 NPY4R (0.52) NPY4RNPY1RNPY2RNPY5RDPP7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119708125-A Solid phase synthesis method of antibacterial bakuchiol derivative 山东创新药物研发有限公司 2025-03-28 — — CN disclosed
CN-115925585-B Chlorofacol derivative, antibacterial drug, preparation method and application 广州医科大学 2023-11-03 — — CN disclosed
CN-114671790-B Diphenyl sulfide compound, antibacterial medicine, preparation method and application 广州医科大学 2023-06-06 — — CN disclosed
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