SCHEMBL30208250

SCHEMBL30208250

C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.56
▸ F2 P00734 4/20 0.55
▸ NMUR2 Q9GZQ4 3/20 0.55
▸ NMUR1 Q9HB89 3/20 0.55
▸ NPY2R P49146 6/20 0.55
▸ NPY4R P50391 6/20 0.55
▸ NPY5R Q15761 6/20 0.55
▸ NPY1R P25929 4/20 0.55
▸ CTSL P07711 2/20 0.54
▸ CTSS P25774 2/20 0.54
▸ CTSK P43235 2/20 0.54
▸ CTSH P09668 1/20 0.54
▸ MC4R P32245 1/20 0.54
▸ C5AR1 P21730 1/20 0.54

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
SCHEMBL30547344 0.95 EPHA2 (0.55) EPHA2F2NMUR2NMUR1NPY2R
SCHEMBL29638059 0.91 MC4R (0.61) F2NMUR2NMUR1NPY2RNPY4R
SCHEMBL29638066 0.91 MC4R (0.61) F2NMUR2NMUR1NPY2RNPY4R
SCHEMBL29880330 0.91 C5AR1 (0.64) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30437384 0.90 APLNR (0.60) NPY2RNPY4RNPY5RNPY1RMC4R
SCHEMBL30973967 0.89 CTSL (0.57) EPHA2F2CTSLCTSSCTSK
SCHEMBL29519729 0.88 C5AR1 (0.54) EPHA2F2CTSLCTSSCTSK
SCHEMBL31182516 0.88 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1R
SCHEMBL29470156 0.87 NPY2R (0.62) F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30862104 0.87 CTSL (0.52) EPHA2F2NPY2RNPY4RNPY5R

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-110680918-B HPV nano vaccine composition with ATP as adjuvant and preparation method thereof 中国医学科学院医学生物学研究所 2023-02-28 — — CN disclosed
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