SCHEMBL9751907

SCHEMBL9751907

CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(N)C(C)C)C(=O)NC(CCSC)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.46
▸ ENPEP Q07075 5/20 0.44
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ TASP1 Q9H6P5 1/20 0.41
▸ PTH1R Q03431 2/20 0.40
▸ RXFP1 Q9HBX9 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
SCHEMBL9751909 1.00 BACE1 (0.46) BACE1ENPEPGRIN2DGRIN3BGRIN1
SCHEMBL9751908 0.86 BACE1 (0.59) BACE1PTH1R
SCHEMBL9751910 0.86 BACE1 (0.59) BACE1PTH1R
SCHEMBL9751906 0.85 BACE1 (0.57) BACE1PTH1R
SCHEMBL9751911 0.85 BACE1 (0.57) BACE1PTH1R
SCHEMBL30703114 0.84 BACE1 (0.47) BACE1ENPEPPTH1R
SCHEMBL30061479 0.83 ENPEP (0.46) BACE1ENPEP
SCHEMBL26374203 0.82 RXFP1 (0.48) BACE1ENPEPGRIN2DGRIN3BGRIN1
SCHEMBL26374211 0.82 RXFP1 (0.48) BACE1ENPEPGRIN2DGRIN3BGRIN1
SCHEMBL31410852 0.81 ENPEP (0.48) BACE1ENPEP

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-0425616-A4 USE OF ANIMAL-DERIVED ANTI-MICROBIAL PEPTIDES FOR CONTROL OF PLANT PATHOGENS — 1991-11-27 — — EP claimed
EP-0425616-A1 USE OF ANIMAL-DERIVED ANTI-MICROBIAL PEPTIDES FOR CONTROL OF PLANT PATHOGENS CALGENE, INC. (US) 1991-05-08 — — EP claimed
WO-1990011770-A1 USE OF ANIMAL-DERIVED ANTI-MICROBIAL PEPTIDES FOR CONTROL OF PLANT PATHOGENS CALGENE, INC. (US) 1990-10-18 — — WO claimed
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