SCHEMBL7955485

SCHEMBL7955485

C#CCCNC(=O)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 15/20 0.81
SNCA P37840 1/20 0.44
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL1856133 0.92 GPR52 (0.81) GPR52SNCAPOLBALDH1A1
SCHEMBL1850015 0.90 GPR52 (1.00) GPR52SNCA
SCHEMBL1853632 0.89 GPR52 (0.85) GPR52SNCAPOLBALDH1A1
SCHEMBL13489547 0.89 GPR52 (0.85) GPR52SNCAPOLBALDH1A1
Hydrochloric Acid SCHEMBL3216086 0.88 GPR52 (0.84) GPR52SNCAPOLBALDH1A1
SCHEMBL3210306 0.87 GPR52 (0.82) GPR52SNCAPOLBALDH1A1
SCHEMBL3208303 0.87 GPR52 (0.82) GPR52SNCAPOLBALDH1A1
SCHEMBL3219294 0.87 GPR52 (0.82) GPR52SNCAPOLBALDH1A1
SCHEMBL13489542 0.87 GPR52 (0.82) GPR52SNCAPOLBALDH1A1
Hydrochloric Acid SCHEMBL1853553 0.86 GPR52 (0.81) GPR52SNCAPOLBALDH1A1

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-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed