SCHEMBL8252018

SCHEMBL8252018

C#CC(OC(=O)[C@@H](N)C(C)C)C1CC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.32
DPP4 P27487 2/20 0.32
IDO1 P14902 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL8249586 0.78 SLC7A5 (0.39) SLC7A5DPP4IDO1ALOX5
SCHEMBL8242581 0.77 SLC7A5 (0.38) SLC7A5DPP4IDO1ALOX5
SCHEMBL769573 0.71 SLC7A5 (0.48) SLC7A5DPP4
SCHEMBL84795 0.71 SLC7A5 (0.48) SLC7A5DPP4
SCHEMBL769572 0.71 SLC7A5 (0.48) SLC7A5DPP4
Hydrochloric Acid SCHEMBL17099133 0.69 SLC7A5 (0.46) SLC7A5DPP4
Hydrochloric Acid SCHEMBL1456828 0.69 SLC7A5 (0.46) SLC7A5DPP4
SCHEMBL145865 0.67 SLC7A5 (0.48) SLC7A5DPP4
SCHEMBL25430358 0.66 SLC7A5 (0.42) SLC7A5DPP4
SCHEMBL21486081 0.66 SLC7A5 (0.42) SLC7A5DPP4

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-2006130607-A2 CONTROLLED-RELEASE FORMULATION USEFUL FOR TREATING DISORDERS ASSOCIATED WITH HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO disclosed