SCHEMBL20005061

SCHEMBL20005061

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SNCA P37840 5/20 0.55
MAPT P10636 2/20 0.55
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
RIPK1 Q13546 2/20 0.31
DAO P14920 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
SCHEMBL20005045 0.78 SNCA (0.72) SNCAMAPTRIPK1
SCHEMBL20004585 0.71 MAPT (0.49) SNCAMAPTHRH4HRH3DRD2
SCHEMBL20004553 0.71 SNCA (1.00) SNCAMAPTDAO
SCHEMBL20004674 0.70 SNCA (0.60) SNCAMAPTDRD2DRD4DRD3
SCHEMBL20004711 0.70 SNCA (0.80) SNCAMAPTRIPK1
SCHEMBL20004597 0.69 SNCA (0.94) SNCAMAPTRIPK1
SCHEMBL20004397 0.68 SNCA (0.73) SNCAMAPTDAO
SCHEMBL22537556 0.68 SNCA (0.53) SNCAMAPTHRH4HRH3RIPK1
SCHEMBL20005054 0.67 SNCA (0.69) SNCAMAPTRIPK1
SCHEMBL20005056 0.65 SNCA (0.69) SNCAMAPTDRD2DRD4DRD3

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
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
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