SCHEMBL19976648

SCHEMBL19976648

CCCN1CCN(CCOC)C1C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.40
GAA P10253 1/20 0.32
OPRM1 P35372 1/20 0.31
HTR1A P08908 11/20 0.31
DRD2 P14416 3/20 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
SCHEMBL14714141 0.91 GBA1 (0.44) GBA1OPRM1
SCHEMBL16521117 0.79 GBA1 (0.44) GBA1OPRM1
SCHEMBL1831896 0.78 GBA1 (0.34) GBA1GAAHTR1ADRD2
Iodide SCHEMBL6117691 0.76 GBA1 (0.33) GBA1GAAHTR1A
SCHEMBL26157149 0.73 GAA (0.38) GBA1GAA
SCHEMBL22360704 0.72 GBA1 (0.41) GBA1OPRM1
SCHEMBL25681708 0.70
SCHEMBL25681706 0.70
SCHEMBL20694667 0.69 GBA1 (0.36) GBA1OPRM1
SCHEMBL22360701 0.69 GBA1 (0.39) GBA1OPRM1

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-9920086-B2 Ruthenium-based complexes, their preparation and use as catalysts ARLANXEO DE GMBH (DE) 2018-03-20 US disclosed