SCHEMBL20004555

SCHEMBL20004555

CNc1ccc(C#Cc2cc3c([nH]2)=NCCC=3)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.39
SNCA P37840 9/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
MAPT P10636 6/20 0.34

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 0.85 SNCA (0.36) SNCAMAPT
SCHEMBL21147267 0.83 SNCA (0.51) APPSNCAMAPT
SCHEMBL20004453 0.83 SNCA (0.36) SNCAMAPT
SCHEMBL21147086 0.77 GRM5 (0.41) SNCAMAPT
SCHEMBL20004515 0.76 APP (0.38) APPSNCAMAPT
SCHEMBL20004527 0.76 SNCA (0.37) SNCAMAPT
SCHEMBL22537542 0.76 SNCA (0.39) SNCAMAPT
SCHEMBL21147289 0.74 PIK3CA (0.38)
SCHEMBL20005013 0.74 GRM5 (0.40)
SCHEMBL22537754 0.74 SNCA (0.52) APPSNCAMAPT

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