SCHEMBL29662379

SCHEMBL29662379

C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.56
▸ RAMP3 O60896 5/20 0.55
▸ CALCR P30988 5/20 0.55
▸ OPRD1 P41143 3/20 0.54
▸ OPRM1 P35372 1/20 0.54
▸ C5AR1 P21730 1/20 0.54
▸ SLC6A2 P23975 1/20 0.53
▸ IL23R Q5VWK5 1/20 0.53

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
SCHEMBL29662242 0.96 RAMP3 (0.55) KEAP1RAMP3CALCROPRD1OPRM1
SCHEMBL29662252 0.91 C5AR1 (0.66) KEAP1RAMP3CALCRC5AR1
SCHEMBL29678305 0.89 IL23R (0.59) KEAP1RAMP3CALCROPRD1OPRM1
SCHEMBL30712955 0.89 NPY2R (0.58) OPRD1C5AR1IL23R
SCHEMBL29457313 0.89 SLC6A2 (0.69) OPRD1OPRM1C5AR1SLC6A2IL23R
SCHEMBL29678292 0.89 KEAP1 (0.58) KEAP1OPRD1OPRM1C5AR1SLC6A2
SCHEMBL31415946 0.88 SLC6A2 (0.63) OPRD1OPRM1SLC6A2
SCHEMBL29364257 0.88 KEAP1 (0.59) KEAP1
SCHEMBL29496464 0.87 KEAP1 (0.59) KEAP1RAMP3CALCROPRD1OPRM1
SCHEMBL31307292 0.87 CALCRL (0.56) KEAP1RAMP3CALCRSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112724238-B Bioactive peptide with amino acid structure FREGTTPKPK, and preparation method and application thereof 浙江辉肽生命健康科技有限公司 2022-05-31 — — CN claimed
CN-112724238-B Bioactive peptide with amino acid structure FREGTTPKPK, and preparation method and application thereof 浙江辉肽生命健康科技有限公司 2022-05-31 — — CN disclosed
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