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SCHEMBL30305362

SCHEMBL30305362

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 8/20 0.51
▸ KISS1R Q969F8 3/20 0.51
▸ ACE P12821 2/20 0.50
▸ CTSC P53634 1/20 0.50
▸ MAGI3 Q5TCQ9 1/20 0.49
▸ ECE1 P42892 1/20 0.49
▸ SIRT5 Q9NXA8 1/20 0.48
▸ GHSR Q92847 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
SCHEMBL30093039 1.00 IL23R (0.51) IL23RKISS1RACECTSCMAGI3
SCHEMBL29732261 1.00 IL23R (0.51) IL23RKISS1RACECTSCMAGI3
SCHEMBL30302924 1.00 IL23R (0.51) IL23RKISS1RACECTSCMAGI3
SCHEMBL30093103 1.00 IL23R (0.51) IL23RKISS1RACECTSCMAGI3
SCHEMBL30339793 1.00 IL23R (0.51) IL23RKISS1RACECTSCMAGI3
SCHEMBL30093123 1.00 IL23R (0.51) IL23RKISS1RACECTSCMAGI3
SCHEMBL30302936 1.00 IL23R (0.51) IL23RKISS1RACECTSCMAGI3
SCHEMBL29800070 1.00 IL23R (0.51) IL23RKISS1RACECTSCMAGI3
SCHEMBL29799990 1.00 IL23R (0.51) IL23RKISS1RACECTSCMAGI3
SCHEMBL30798752 1.00 IL23R (0.51) IL23RKISS1RACECTSCMAGI3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317809-A1 Engineered Antimicrobial Peptides and Usage Thereof UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) 2024-09-26 — — US disclosed
WO-2023044487-A1 TREATMENT OF LUNG DISEASE OR INJURY USING ENGINEERED ANTIMICROBIAL PEPTIDES PEPTILOGICS, INC. (US) 2023-03-23 — — WO disclosed
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