SCHEMBL20005161

SCHEMBL20005161

Fc1ccccc1C#Cc1cc2c([nH]1)=NCCC=2

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.36
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
IKBKB O14920 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
SCHEMBL20004453 0.78 SNCA (0.36) GRM5CHRNB2CHRNA4
SCHEMBL20005013 0.78 GRM5 (0.40) GRM5CHRNB2CHRNA4
SCHEMBL22537854 0.76
SCHEMBL21147086 0.73 GRM5 (0.41) GRM5CHRNB2CHRNA4
SCHEMBL21147289 0.73 PIK3CA (0.38) IKBKB
SCHEMBL21147267 0.71 SNCA (0.51)
SCHEMBL22537807 0.69 ACACB (0.34)
SCHEMBL22537813 0.67 APP (0.33)
SCHEMBL22537542 0.67 SNCA (0.39)
SCHEMBL22537774 0.66 APP (0.48)

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