SCHEMBL30093012

SCHEMBL30093012

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.54
▸ EDNRA P25101 1/20 0.52
▸ PRMT1 Q99873 1/20 0.50
▸ KISS1R Q969F8 9/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ CASP4 P49662 1/20 0.49
▸ CASP5 P51878 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ CASP9 P55211 1/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ CASP8 Q14790 1/20 0.49
▸ CASP10 Q92851 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ACE P12821 1/20 0.48
▸ NPBWR1 P48145 1/20 0.48
▸ CTSB P07858 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ PCSK9 Q8NBP7 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
SCHEMBL30130527 1.00 MAGI3 (0.54) MAGI3EDNRAPRMT1KISS1RCASP1
SCHEMBL30093068 1.00 MAGI3 (0.54) MAGI3EDNRAPRMT1KISS1RCASP1
SCHEMBL8660686 0.97 MAGI3 (0.50) MAGI3EDNRAPRMT1KISS1RCASP1
SCHEMBL30130582 0.96 EDNRA (0.57) MAGI3EDNRAKISS1RCTSBCTSK
SCHEMBL30130532 0.95 MAGI3 (0.54) MAGI3EDNRAPRMT1KISS1RCASP1
SCHEMBL30093029 0.95 EDNRA (0.57) MAGI3EDNRAKISS1RCTSBCTSK
SCHEMBL30130547 0.94 KISS1R (0.57) MAGI3EDNRAKISS1RCTSBCTSK
SCHEMBL30130555 0.94 KISS1R (0.57) MAGI3EDNRAKISS1RCTSBCTSK
SCHEMBL30919254 0.94 MAGI3 (0.54) MAGI3KISS1RNPBWR1NPY1RNPY2R
SCHEMBL11811768 0.94 MAGI3 (0.54) MAGI3EDNRAKISS1RCASP1CASP3

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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