Valine

Valine

SCHEMBL9429680

CC(C)[C@H](N)C(=O)O.NC(=O)c1conc1C(N)=O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.46
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
PTGS2 P35354 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL3039398 0.82 MAPT (0.33) PTGS2
SCHEMBL9278686 0.75 IKBKB (0.36) PTGS2
SCHEMBL19064368 0.68 ADORA2A (0.33)
SCHEMBL3950059 0.68 L3MBTL1 (0.34)
Valine SCHEMBL756026 0.68 SLC7A5 (0.88) SLC7A5DPP4DPP8DPP7ACHE
Valine SCHEMBL935768 0.68 SLC7A5 (0.88) SLC7A5DPP4DPP8DPP7ACHE
Valine SCHEMBL296920 0.68 SLC7A5 (0.88) SLC7A5DPP4DPP8DPP7ACHE
Valine SCHEMBL2213629 0.68 SLC7A5 (0.88) SLC7A5DPP4DPP8DPP7ACHE
Valine SCHEMBL4582565 0.68 SLC7A5 (0.88) SLC7A5DPP4DPP8DPP7ACHE
Valine SCHEMBL28052598 0.68 SLC7A5 (0.88) SLC7A5DPP4DPP8DPP7ACHE

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-5276160-A Amidation of primary or secondary amines BASF AKTIENGESELLSCHAFT (DE) 1994-01-04 US disclosed