SCHEMBL30093138

SCHEMBL30093138

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 1/20 0.52
▸ IL23R Q5VWK5 3/20 0.51
▸ KISS1R Q969F8 5/20 0.51
▸ CTSB P07858 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ NPBWR1 P48145 1/20 0.49
▸ ERBB2 P04626 1/20 0.48
▸ ACE P12821 1/20 0.48
▸ MAGI3 Q5TCQ9 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
SCHEMBL30093070 1.00 GHSR (0.52) GHSRIL23RKISS1RCTSBCTSK
SCHEMBL30093121 0.97 GHSR (0.54) GHSRIL23RKISS1RACEMAGI3
SCHEMBL30130569 0.95 KISS1R (0.55) GHSRIL23RKISS1RCTSBCTSK
SCHEMBL30130539 0.95 KISS1R (0.55) GHSRIL23RKISS1RCTSBCTSK
SCHEMBL30130541 0.95 KISS1R (0.55) GHSRIL23RKISS1RCTSBCTSK
SCHEMBL30505871 0.93 NPBWR1 (0.58) GHSRIL23RKISS1RCTSBCTSK
SCHEMBL30505874 0.93 NPBWR1 (0.58) GHSRIL23RKISS1RCTSBCTSK
SCHEMBL30053472 0.93 ERAP2 (0.56) GHSRKISS1RCTSBCTSK
SCHEMBL29800070 0.92 IL23R (0.51) GHSRIL23RKISS1RACEMAGI3
SCHEMBL30305302 0.92 KISS1R (0.54) IL23RKISS1RACEMAGI3

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 disclosed
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