SCHEMBL20004580

SCHEMBL20004580

C=C(/C=C\C(C#Cc1cc2cc(F)cnc2[nH]1)=C/C)Oc1ccc(N(C)CCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.44
MAPT P10636 1/20 0.36
NOX1 Q9Y5S8 1/20 0.32

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
SCHEMBL21115282 0.78 SNCA (0.66) SNCAMAPTNOX1
SCHEMBL20004669 0.77 SNCA (0.73) SNCAMAPTNOX1
SCHEMBL20005159 0.74 SNCA (0.69) SNCAMAPTNOX1
SCHEMBL20004440 0.71 SNCA (0.71) SNCAMAPTNOX1
SCHEMBL20005087 0.71 SNCA (0.45) SNCAMAPTNOX1
SCHEMBL20004723 0.71 SNCA (0.60) SNCAMAPTNOX1
SCHEMBL20004399 0.68 SNCA (0.75) SNCAMAPT
SCHEMBL20004468 0.68 SNCA (0.71) SNCAMAPT
SCHEMBL22537706 0.68 SNCA (0.53) SNCAMAPT
SCHEMBL22537798 0.67 SNCA (0.47) SNCAMAPT

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