SCHEMBL20005107

SCHEMBL20005107

CCc1cc(F)cnc[nH]c(C#Cc2ccc(N(C)CCN(C)C)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SNCA P37840 6/20 0.38
MAPT P10636 3/20 0.38
NTRK1 P04629 1/20 0.32
TAAR1 Q96RJ0 1/20 0.30
CYP2D6 P10635 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL22537675 0.79 APP (0.38) SNCANTRK1CYP2D6HRH3
SCHEMBL20004399 0.71 SNCA (0.75) SNCAMAPTNTRK1
SCHEMBL22537602 0.69 SNCA (0.37) SNCAMAPTTAAR1
SCHEMBL20004678 0.69 SNCA (0.49) SNCAMAPT
SCHEMBL22537604 0.64 MAPT (0.41) SNCAMAPTHRH3
SCHEMBL15613386 0.63 HRH3 (0.40) MAPTTAAR1HRH3
SCHEMBL20005091 0.63 SNCA (0.58) SNCAMAPT
SCHEMBL20004669 0.62 SNCA (0.73) SNCAMAPT
SCHEMBL20004716 0.61 SNCA (0.68) SNCAMAPT
SCHEMBL20004675 0.61 SNCA (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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