SCHEMBL29136392

SCHEMBL29136392

CCC(N)(N)C(=O)O[C@H]1CN[C@H](C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
ARG1 P05089 1/20 0.35
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL12896183 0.84 CYP2D6 (0.40) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL17422956 0.76 CYP2D6 (0.44) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL5068419 0.76 CYP2D6 (0.44) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL9358145 0.74 CYP2D6 (0.48) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL3450045 0.74 CYP2D6 (0.48) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL11386525 0.74 CYP2D6 (0.48) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL5861606 0.74 CYP2D6 (0.48) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL1513773 0.74 CYP2D6 (0.48) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL2266841 0.74 CYP2D6 (0.48) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL683739 0.74 CYP2D6 (0.48) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3

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
CN-117357450-A Composition for improving skin aging relaxation and preparation method and application thereof 珠海金肽生物科技有限公司 2024-01-09 CN claimed