SCHEMBL31182607

SCHEMBL31182607

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.48
▸ GRIN2D O15399 1/20 0.45
▸ GRIN3B O60391 1/20 0.45
▸ GRIN1 Q05586 1/20 0.45
▸ GRIN2A Q12879 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ GRIN2C Q14957 1/20 0.45
▸ GRIN3A Q8TCU5 1/20 0.45
▸ FURIN P09958 7/20 0.44
▸ SLC15A2 Q16348 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40

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
SCHEMBL29539249 0.89 BMP1 (0.43) FOLH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30964332 0.88 SLC15A2 (0.47) FOLH1FURINSLC15A2
SCHEMBL31202999 0.88 SLC15A2 (0.45) FOLH1FURINSLC15A2
SCHEMBL31593363 0.87 GRIN2D (0.48) FOLH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29373145 0.86 SLC15A2 (0.49) FOLH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29777788 0.85 FOLH1 (0.59) FOLH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30964333 0.85 SLC15A2 (0.51) FOLH1FURINSLC15A2
SCHEMBL30570968 0.84 BACE1 (0.49) FOLH1
SCHEMBL29463331 0.84 FOLH1 (0.48) FOLH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30277937 0.83 GRIN2D (0.48) FOLH1GRIN2DGRIN3BGRIN1GRIN2A

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
US-20240350475-A1 TRIGONELLINE MITIGATES CARDIOMYOPATHY CAUSED BY SARS-COV-2 SPIKE PROTEIN UNDER OBESITY UNIVERSITY OF SOUTH CAROLINA (US) 2024-10-24 — — US disclosed
Send feedback