SCHEMBL1848932

SCHEMBL1848932

CNC(=O)CNC(=O)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1.O=C(O)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 12/20 0.73
MRGPRX4 Q96LA9 1/20 0.46
GPR139 Q6DWJ6 1/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SNCA P37840 1/20 0.40
CCR2 P41597 2/20 0.39

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
SCHEMBL3206518 0.97 GPR52 (0.78) GPR52MRGPRX4GPR139HTTL3MBTL1
SCHEMBL1848577 0.92 GPR52 (0.73) GPR52SNCA
SCHEMBL1851459 0.90 GPR52 (0.80) GPR52SNCA
SCHEMBL1847900 0.89 GPR52 (0.75) GPR52MRGPRX4
SCHEMBL1848355 0.88 GPR52 (0.78) GPR52SNCA
SCHEMBL1853839 0.88 GPR52 (0.77) GPR52MRGPRX4SNCA
SCHEMBL1847051 0.88 GPR52 (0.89) GPR52MRGPRX4SNCACCR2
SCHEMBL3217725 0.87 GPR52 (0.79) GPR52MRGPRX4SNCA
SCHEMBL3217749 0.87 GPR52 (0.75) GPR52SNCACCR2
SCHEMBL1850246 0.86 GPR52 (0.77) GPR52SNCA

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-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed