SCHEMBL30093091

SCHEMBL30093091

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 10/20 0.58
▸ KISS1R Q969F8 4/20 0.57
▸ PCSK9 Q8NBP7 2/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ GHSR Q92847 2/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ KEAP1 Q14145 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
SCHEMBL30092932 1.00 PTH1R (0.58) PTH1RKISS1RPCSK9RXFP1GHSR
SCHEMBL30092944 0.96 RXFP1 (0.57) PTH1RKISS1RPCSK9RXFP1GHSR
SCHEMBL30130550 0.96 RXFP1 (0.57) PTH1RKISS1RPCSK9RXFP1GHSR
SCHEMBL30130583 0.94 PCSK9 (0.54) PTH1RKISS1RPCSK9RXFP1GHSR
SCHEMBL30130544 0.94 PCSK9 (0.54) PTH1RKISS1RPCSK9RXFP1GHSR
SCHEMBL30130534 0.94 PCSK9 (0.54) PTH1RKISS1RPCSK9RXFP1GHSR
SCHEMBL30093043 0.94 PCSK9 (0.54) PTH1RKISS1RPCSK9RXFP1GHSR
SCHEMBL30093045 0.94 RXFP1 (0.57) PTH1RKISS1RPCSK9RXFP1
SCHEMBL30092971 0.94 RXFP1 (0.57) PTH1RKISS1RPCSK9RXFP1
SCHEMBL30093025 0.94 EDNRA (0.55) PTH1RKISS1RPCSK9RXFP1GHSR

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-115397836-A Novel antibacterial peptide and application thereof 安尼根有限公司 2022-11-25 — — CN claimed
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