SCHEMBL20004470

SCHEMBL20004470

CCCN(C)c1ccc(C#Cc2cc3cccnc3[nH]2)cc1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SNCA P37840 12/20 0.81
MAPT P10636 7/20 0.81
TRPV1 Q8NER1 1/20 0.39
RIPK1 Q13546 2/20 0.35
ACACB O00763 1/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL22930176 0.90 SNCA (0.77) SNCAMAPTRIPK1ACACBDAO
SCHEMBL22537777 0.89 SNCA (0.79) SNCAMAPTRIPK1ACACBDAO
SCHEMBL20005089 0.89 SNCA (0.79) SNCAMAPTRIPK1ACACBDAO
SCHEMBL20004553 0.89 SNCA (1.00) SNCAMAPTDAO
SCHEMBL20004574 0.87 SNCA (0.76) SNCAMAPTRIPK1ACACB
SCHEMBL20004597 0.86 SNCA (0.94) SNCAMAPTRIPK1
SCHEMBL20004389 0.85 SNCA (1.00) SNCAMAPTRIPK1DAO
SCHEMBL21147095 0.83 SNCA (0.57) SNCAMAPTTRPV1ACACB
SCHEMBL20005027 0.78 SNCA (0.62) SNCAMAPT
SCHEMBL20004711 0.78 SNCA (0.80) SNCAMAPTRIPK1

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