SCHEMBL7955979

SCHEMBL7955979

C=C(NCC(N)=O)c1cccc(-c2cccc3sc(Cc4ccc(F)c(F)c4)cc23)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 7/20 0.51
S1PR5 Q9H228 6/20 0.39
S1PR4 O95977 3/20 0.38
SLC9A1 P19634 6/20 0.37
KDM1A O60341 1/20 0.35

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
SCHEMBL3209979 0.91 GPR52 (0.61) GPR52S1PR5S1PR4SLC9A1KDM1A
SCHEMBL1852510 0.88 GPR52 (0.57) GPR52S1PR5S1PR4SLC9A1KDM1A
SCHEMBL7957517 0.86 GPR52 (0.62) GPR52S1PR5S1PR4KDM1A
SCHEMBL3223348 0.85 GPR52 (0.52) GPR52S1PR5S1PR4SLC9A1
SCHEMBL1852836 0.83 GPR52 (0.58) GPR52S1PR5S1PR4SLC9A1KDM1A
SCHEMBL1851699 0.82 GPR52 (0.52) GPR52S1PR5S1PR4SLC9A1
SCHEMBL3204361 0.79 GPR52 (0.59) GPR52S1PR5S1PR4
SCHEMBL1852511 0.79 GPR52 (0.44) GPR52S1PR5S1PR4SLC9A1
SCHEMBL3217946 0.78 GPR52 (0.79) GPR52KDM1A
SCHEMBL1851157 0.78 GPR52 (0.57) GPR52SLC9A1

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