SCHEMBL6129561

SCHEMBL6129561

C[C@@H](N)C(=O)N[C@@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 1/20 0.61
▸ NMT2 O60551 1/20 0.45
▸ NMT1 P30419 1/20 0.45
▸ TLR2 O60603 1/20 0.44
▸ HRH1 P35367 1/20 0.43
▸ FURIN P09958 6/20 0.42
▸ ROCK2 O75116 2/20 0.41
▸ GHSR Q92847 1/20 0.41
▸ SLC6A5 Q9Y345 1/20 0.40
▸ FOLH1 Q04609 1/20 0.40
▸ PRKACA P17612 1/20 0.39
▸ AKT3 Q9Y243 1/20 0.39

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
SCHEMBL2508780 1.00 NOD1 (0.61) NOD1NMT2NMT1TLR2HRH1
SCHEMBL29527293 0.93 NOD1 (0.58) NOD1NMT2NMT1FURINSLC6A5
SCHEMBL1573989 0.93 NOD1 (0.58) NOD1NMT2NMT1FURINSLC6A5
SCHEMBL30985184 0.91 NOD1 (0.60) NOD1NMT2NMT1SLC6A5FOLH1
SCHEMBL2508754 0.89 NOD1 (0.46) NOD1NMT2NMT1FURINGHSR
SCHEMBL2508755 0.89 NOD1 (0.46) NOD1NMT2NMT1FURINGHSR
SCHEMBL19529151 0.88 NOD1 (0.68) NOD1NMT2NMT1TLR2ROCK2
SCHEMBL20529374 0.88 NMT2 (0.43) NOD1NMT2NMT1FURINFOLH1
SCHEMBL2512125 0.87 FOLH1 (0.53) NOD1NMT2NMT1FURINFOLH1
SCHEMBL29794236 0.87 FOLH1 (0.53) NOD1NMT2NMT1FURINFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107976-A4 ANTI-ENDOTOXIC, ANTIMICROBIAL CATIONIC PEPTIDES AND METHODS OF USE THEREFOR UNIV BRITISH COLUMBIA (CA) 2005-01-05 — — EP disclosed
EP-1107976-A1 ANTI-ENDOTOXIC, ANTIMICROBIAL CATIONIC PEPTIDES AND METHODS OF USE THEREFOR UNIVERSITY OF BRITISH COLUMBIA (CA) 2001-06-20 — — EP disclosed
WO-2000012528-A1 ANTI-ENDOTOXIC, ANTIMICROBIAL CATIONIC PEPTIDES AND METHODS OF USE THEREFOR UNIVERSITY OF BRITISH COLUMBIA (CA) 2000-03-09 — — WO disclosed
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