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Sugi Predict / Compounds / SCHEMBL29678024

SCHEMBL29678024

SCHEMBL29678024

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.58
▸ OPRK1 P41145 6/20 0.58
▸ C5AR1 P21730 1/20 0.56
▸ CALCR P30988 4/20 0.56
▸ MC4R P32245 1/20 0.55
▸ APLNR P35414 1/20 0.55

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
SCHEMBL30974481 0.91 C5AR1 (0.61) C5AR1CALCRMC4RAPLNR
SCHEMBL29569062 0.90 C5AR1 (0.65) OPRM1OPRK1C5AR1APLNR
SCHEMBL29836372 0.89 C5AR1 (0.63) C5AR1CALCR
SCHEMBL31182765 0.89 CALCR (0.62) CALCRAPLNR
SCHEMBL16212659 0.89 C5AR1 (0.54) OPRM1OPRK1C5AR1APLNR
SCHEMBL30974573 0.88 C5AR1 (0.57) C5AR1CALCRMC4RAPLNR
SCHEMBL29569693 0.88 AGTR1 (0.62) OPRM1OPRK1C5AR1CALCRMC4R
SCHEMBL30512520 0.88 F2 (0.61) C5AR1CALCRMC4RAPLNR
SCHEMBL29667180 0.87 NPY2R (0.56) C5AR1CALCRAPLNR
SCHEMBL30692723 0.87 APLNR (0.58) C5AR1MC4RAPLNR

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-112500468-B Bioactive peptide RLAFIAHPKLG, and preparation method and application thereof 上海交通大学 2022-07-15 — — CN claimed
CN-112500468-B Bioactive peptide RLAFIAHPKLG, and preparation method and application thereof 上海交通大学 2022-07-15 — — CN disclosed
CN-112500468-B Bioactive peptide RLAFIAHPKLG, and preparation method and application thereof 上海交通大学 2022-07-15 — — CN disclosed
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