SCHEMBL30861900

SCHEMBL30861900

C[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 3/20 0.56
▸ CTSL P07711 3/20 0.54
▸ CTSS P25774 3/20 0.54
▸ CTSK P43235 3/20 0.54
▸ CTSH P09668 1/20 0.54
▸ CXCR4 P61073 3/20 0.53
▸ C5AR1 P21730 1/20 0.53
▸ IL23R Q5VWK5 5/20 0.52
▸ PRKACB P22694 1/20 0.50
▸ CCKAR P32238 1/20 0.50
▸ CCKBR P32239 1/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ GHSR Q92847 1/20 0.48
▸ PRMT1 Q99873 1/20 0.48

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
SCHEMBL29910876 1.00 NPBWR1 (0.56) NPBWR1CTSLCTSSCTSKCTSH
SCHEMBL30861896 1.00 NPBWR1 (0.56) NPBWR1CTSLCTSSCTSKCTSH
SCHEMBL29837173 0.94 IL23R (0.61) NPBWR1C5AR1IL23R
SCHEMBL31593263 0.92 NPBWR1 (0.62) NPBWR1CXCR4IL23RPRKACBCCKAR
SCHEMBL31016482 0.92 CTSL (0.54) NPBWR1CTSLCTSSCTSKCTSH
SCHEMBL29484172 0.90 C5AR1 (0.59) NPBWR1CTSLCTSSCTSKCTSH
SCHEMBL30550555 0.90 TUBB4A (0.55) NPBWR1CTSLCTSSCTSKCTSH
SCHEMBL31016489 0.89 CTSL (0.60) NPBWR1CTSLCTSSCTSKCTSH
SCHEMBL31016485 0.89 CTSL (0.60) NPBWR1CTSLCTSSCTSKCTSH
SCHEMBL31016493 0.89 CTSL (0.60) NPBWR1CTSLCTSSCTSKCTSH

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-115010791-B Antibacterial peptide GW18 and application thereof 南方海洋科学与工程广东省实验室(广州) 2024-03-08 — — CN disclosed
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