SCHEMBL9561890

SCHEMBL9561890

CC(C)C[C@H](N)C(=O)OC1(C)CCC(C(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.37
DPP4 P27487 3/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
POLB P06746 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
SCHEMBL9076804 0.84
Hydrochloric Acid SCHEMBL9284121 0.81 SLC1A2 (0.30) SLC1A2
SCHEMBL9077116 0.81 ALDH1A1 (0.34)
SCHEMBL9561908 0.80 DPP4 (0.32) SLC7A5DPP4DPP8DPP9DPP7
SCHEMBL9561828 0.80 DPP4 (0.32) SLC7A5DPP4DPP8DPP9DPP7
SCHEMBL29469592 0.78 SCN1A (0.31)
SCHEMBL614026 0.78 SCN1A (0.31)
SCHEMBL31149439 0.76 SCN1A (0.30)
SCHEMBL4063068 0.76 SCN1A (0.30)
SCHEMBL30152463 0.75 EP300 (0.34)

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-5274167-A A N-(meth)acryloyl amino acid amide BAYER AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed