SCHEMBL11268957

SCHEMBL11268957

NCC(=O)C(CC(=O)O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 3/20 0.38
LMNA P02545 1/20 0.38
GLRA1 P23415 1/20 0.38
SLC6A9 P48067 1/20 0.38
OR51E2 Q9H255 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.33
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CETP P11597 1/20 0.31
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 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
SCHEMBL26444829 0.73 SLC22A6 (0.36) GABRR1LMNASLC22A6TDP1SMN1; SMN2
SCHEMBL25242211 0.71 SLC22A6 (0.35) GABRR1LMNASLC22A6TDP1SMN1; SMN2
SCHEMBL14524724 0.71 GABRR1 (0.32) GABRR1LMNAGLRA1SLC6A9OR51E2
SCHEMBL11273231 0.71 ADRA1A (0.32) ADRA1A
SCHEMBL21273013 0.70 SLC22A6 (0.33) SLC22A6TDP1SMN1; SMN2
SCHEMBL21273015 0.70 SLC22A6 (0.33) SLC22A6TDP1SMN1; SMN2
SCHEMBL28474842 0.68 GABRR1 (0.46) GABRR1LMNAGLRA1SLC6A9OR51E2
SCHEMBL15083296 0.67 SLC22A6 (0.39) GABRR1LMNAGLRA1SLC6A9OR51E2
SCHEMBL327489 0.67 SLC22A6 (0.39) GABRR1LMNAGLRA1SLC6A9OR51E2
SCHEMBL14533751 0.67 SLC22A6 (0.39) GABRR1LMNAGLRA1SLC6A9OR51E2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4325877-A Production of intermediates for enzyme inhibitors RICHARDSON-MERRELL INC. (US) 1982-04-20 US disclosed
EP-0021883-A2 N-acyl-amino acid derivatives and pharmaceutical compositions containing them, intermediates and starting compounds MERRELL TORAUDE ET COMPAGNIE (FR) 1981-01-07 EP disclosed