SCHEMBL3261674

SCHEMBL3261674

NC(=O)CNC(=O)c1ccnc(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)c1.O=C(O)c1ccnc(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)c1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 17/20 0.74
KDM4C Q9H3R0 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.43
SCD O00767 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
SCHEMBL3215750 0.97 GPR52 (0.79) GPR52MRGPRX4SCD
SCHEMBL1852635 0.90 GPR52 (0.57) GPR52KDM4CMRGPRX4
SCHEMBL1849882 0.89 GPR52 (0.57) GPR52KDM4C
SCHEMBL3263212 0.88 GPR52 (0.69) GPR52SCD
SCHEMBL3210137 0.86 GPR52 (0.78) GPR52
SCHEMBL1855122 0.86 GPR52 (0.69) GPR52SCD
SCHEMBL3212863 0.86 GPR52 (0.60) GPR52KDM4C
SCHEMBL3206560 0.85 GPR52 (0.73) GPR52SCD
SCHEMBL1848342 0.85 GPR52 (0.73) GPR52SCD
SCHEMBL1851239 0.85 GPR52 (0.57) GPR52KDM4CSCD

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