SCHEMBL22658233

SCHEMBL22658233

NC(=O)NCCC[C@H](N)C(=O)OC(=O)C(O)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.35
DDAH1 O94760 1/20 0.34
ARG1 P05089 1/20 0.33
C3AR1 Q16581 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL29106719 0.86 DPP7 (0.41) OTCDDAH1ARG1C3AR1DPP7
SCHEMBL3133848 0.86 DPP7 (0.41) OTCDDAH1ARG1C3AR1DPP7
SCHEMBL28111481 0.85 DPP7 (0.40) OTCDDAH1ARG1C3AR1DPP7
Malic Acid SCHEMBL11164058 0.82 SMN1; SMN2 (0.40) OTCDDAH1DPP7SMN1; SMN2
SCHEMBL21122142 0.82 DPP7 (0.36) OTCDDAH1ARG1C3AR1DPP7
SCHEMBL28015229 0.82 OTC (0.38) OTCDDAH1ARG1C3AR1DPP7
SCHEMBL28329027 0.82 OTC (0.38) OTCDDAH1ARG1C3AR1DPP7
L-Citrulline SCHEMBL319675 0.81 OTC (0.48) OTCDDAH1ARG1SMN1; SMN2
L-Citrulline SCHEMBL319676 0.81 OTC (0.48) OTCDDAH1ARG1SMN1; SMN2
L-Citrulline SCHEMBL31672873 0.81 OTC (0.48) OTCDDAH1ARG1SMN1; SMN2

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
WO-2020231906-A1 SPORTS AND NUTRITIONAL SUPPLEMENT FORMULATIONS BGS HOLDINGS LLC (US) 2020-11-19 WO disclosed