SCHEMBL20004585

SCHEMBL20004585

CN(CCF)CC1=CCC(C#Cc2cc3cccnc3[nH]2)C=C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
SNCA P37840 2/20 0.49
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31
DRD3 P35462 2/20 0.31
RIPK1 Q13546 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
SCHEMBL20004729 0.78 MAPT (0.45) MAPTSNCA
SCHEMBL20004277 0.76 MAPT (0.42) MAPTSNCARIPK1
SCHEMBL20005045 0.73 SNCA (0.72) MAPTSNCARIPK1
SCHEMBL20005061 0.71 SNCA (0.55) MAPTSNCAHRH4HRH3DRD2
SCHEMBL20004553 0.66 SNCA (1.00) MAPTSNCA
SCHEMBL20004674 0.65 SNCA (0.60) MAPTSNCADRD2DRD4DRD3
SCHEMBL22537556 0.65 SNCA (0.53) MAPTSNCAHRH4HRH3RIPK1
SCHEMBL20004711 0.65 SNCA (0.80) MAPTSNCARIPK1
SCHEMBL20004597 0.64 SNCA (0.94) MAPTSNCARIPK1
SCHEMBL20004397 0.64 SNCA (0.73) MAPTSNCA

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-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 WO disclosed