SCHEMBL20004515

SCHEMBL20004515

FCCOc1ccc(C#Cc2cc3c([nH]2)=NCCC=3)cc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APP P05067 14/20 0.38
SNCA P37840 3/20 0.34
MAPT P10636 2/20 0.34
CYP1B1 Q16678 1/20 0.30
TSPO P30536 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
SCHEMBL22537774 0.93 APP (0.48) APP
SCHEMBL22537813 0.85 APP (0.33) APPSNCAMAPT
SCHEMBL20004453 0.81 SNCA (0.36) SNCAMAPT
SCHEMBL22537621 0.80 CYP1B1 (0.36) APPMAPTCYP1B1
SCHEMBL20005146 0.79 SNCA (0.36) SNCAMAPT
SCHEMBL22537542 0.79 SNCA (0.39) SNCAMAPT
SCHEMBL22537754 0.77 SNCA (0.52) APPSNCAMAPT
SCHEMBL21147267 0.77 SNCA (0.51) APPSNCAMAPT
SCHEMBL22537807 0.73 ACACB (0.34)
SCHEMBL20005013 0.73 GRM5 (0.40)

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