SCHEMBL9302800

SCHEMBL9302800

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.58
▸ GRIN3B O60391 1/20 0.58
▸ GRIN1 Q05586 1/20 0.58
▸ GRIN2A Q12879 1/20 0.58
▸ GRIN2B Q13224 1/20 0.58
▸ GRIN2C Q14957 1/20 0.58
▸ GRIN3A Q8TCU5 1/20 0.58
▸ TASP1 Q9H6P5 1/20 0.50
▸ FOLH1 Q04609 2/20 0.43
▸ CPB2 Q96IY4 1/20 0.42
▸ FURIN P09958 1/20 0.42
▸ PCSK6 P29122 1/20 0.42
▸ SLC15A2 Q16348 1/20 0.41
▸ NTSR2 O95665 1/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ BACE1 P56817 1/20 0.41

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
SCHEMBL9302786 1.00 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29933967 0.94 GRIN2D (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29479874 0.89 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30658581 0.88 NTSR2 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31151823 0.87 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30491749 0.87 NTSR2 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30512778 0.87 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30719869 0.86 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31318928 0.86 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29720824 0.86 CPB2 (0.49) FOLH1CPB2SLC15A2

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-5338829-A Peptides derived from human immunodeficiency virus-1 GP160 TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1994-08-16 — — US disclosed
WO-1989010416-A1 PROTECTIVE PEPTIDES DERIVED FROM HUMAN IMMUNODEFICIENCY VIRUS-1 gp160 TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1989-11-02 — — WO disclosed
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