SCHEMBL20004453

SCHEMBL20004453

Fc1ccc(C#Cc2cc3c([nH]2)=NCCC=3)cc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SNCA P37840 8/20 0.36
GRM5 P41594 4/20 0.36
MAPT P10636 5/20 0.33
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL20005146 0.86 SNCA (0.36) SNCAGRM5MAPT
SCHEMBL20005013 0.85 GRM5 (0.40) GRM5CHRNB2CHRNA4
SCHEMBL21147267 0.84 SNCA (0.51) SNCAMAPT
SCHEMBL20004555 0.83 APP (0.39) SNCAMAPT
SCHEMBL20004515 0.81 APP (0.38) SNCAMAPT
SCHEMBL20004527 0.81 SNCA (0.37) SNCAMAPT
SCHEMBL22537807 0.80 ACACB (0.34)
SCHEMBL22537542 0.79 SNCA (0.39) SNCAMAPT
SCHEMBL22537813 0.79 APP (0.33) SNCAMAPT
SCHEMBL20005161 0.78 GRM5 (0.36) GRM5CHRNB2CHRNA4

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