SCHEMBL1848577

SCHEMBL1848577

COC(=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 6)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 13/20 0.73
MAPK1 P28482 1/20 0.42
NR4A2 P43354 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
SNCA P37840 1/20 0.40

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
SCHEMBL1848355 0.97 GPR52 (0.78) GPR52MAPK1MTNR1AMTNR1BSNCA
SCHEMBL1848932 0.92 GPR52 (0.73) GPR52SNCA
SCHEMBL1853839 0.91 GPR52 (0.77) GPR52SNCA
SCHEMBL1851459 0.90 GPR52 (0.80) GPR52SNCA
SCHEMBL1847900 0.89 GPR52 (0.75) GPR52NR4A2
SCHEMBL3206518 0.88 GPR52 (0.78) GPR52SNCA
SCHEMBL3208303 0.87 GPR52 (0.82) GPR52SNCA
SCHEMBL3217725 0.87 GPR52 (0.79) GPR52SNCA
SCHEMBL3217749 0.87 GPR52 (0.75) GPR52SNCA
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