SCHEMBL30383056

SCHEMBL30383056

CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.53
▸ C5AR1 P21730 2/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ REN P00797 2/20 0.51
▸ OPRM1 P35372 2/20 0.50
▸ OPRD1 P41143 2/20 0.50
▸ MC4R P32245 1/20 0.49
▸ NMBR P28336 2/20 0.48
▸ GRPR P30550 2/20 0.48
▸ ANPEP P15144 1/20 0.47
▸ LNPEP Q9UIQ6 1/20 0.47
▸ AGTR1 P30556 3/20 0.47
▸ AGTR2 P50052 3/20 0.47
▸ NTSR2 O95665 1/20 0.47
▸ NTSR1 P30989 1/20 0.47
▸ SORT1 Q99523 1/20 0.47

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
SCHEMBL30382780 0.97 F2 (0.57) F2C5AR1SLC6A2RENOPRM1
SCHEMBL32691827 0.88 OPRM1 (0.55) F2C5AR1SLC6A2OPRM1OPRD1
SCHEMBL30727456 0.88 SLC6A2 (0.60) SLC6A2RENOPRM1OPRD1AGTR1
SCHEMBL29960236 0.87 SLC6A2 (0.60) F2C5AR1SLC6A2OPRM1OPRD1
SCHEMBL30724176 0.86 SLC6A2 (0.53) F2C5AR1SLC6A2OPRM1OPRD1
SCHEMBL29701319 0.85 F2 (0.53) F2C5AR1RENOPRM1OPRD1
SCHEMBL30683565 0.85 SLC6A2 (0.60) C5AR1SLC6A2RENOPRM1OPRD1
SCHEMBL4333862 0.84 C5AR1 (0.53) F2C5AR1SLC6A2RENOPRM1
SCHEMBL4333867 0.84 C5AR1 (0.53) F2C5AR1SLC6A2RENOPRM1
SCHEMBL30431281 0.84 F2 (0.59) F2C5AR1MC4RNMBRGRPR

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-115960168-A Pearl peptide with multiple effects and preparation method and application thereof 广东海洋大学 2023-04-14 — — CN disclosed
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