SCHEMBL1854846

SCHEMBL1854846

O=C(O)c1cccc(-c2cccc3cc(Cc4ccc(OC(F)C(F)F)nc4)sc23)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 4/20 0.44
S1PR5 Q9H228 11/20 0.42
S1PR4 O95977 9/20 0.36
PTGER1 P34995 1/20 0.36
FOLH1 Q04609 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
EIF4EBP1 Q13541 1/20 0.34
DDT P30046 1/20 0.34

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
SCHEMBL1855236 0.89 GPR52 (0.45) GPR52S1PR5S1PR4PTGER1FOLH1
SCHEMBL1848534 0.86 GPR52 (0.49) GPR52S1PR5S1PR4PTGER1FOLH1
SCHEMBL1855238 0.84 GPR52 (0.47) GPR52S1PR5S1PR4PTGER1FOLH1
SCHEMBL1853560 0.80 GPR52 (0.46) GPR52S1PR5S1PR4
SCHEMBL1848252 0.79 GPR52 (0.44) GPR52S1PR5S1PR4
SCHEMBL3207002 0.77 GPR52 (0.60) GPR52
SCHEMBL1848035 0.76 GPR52 (0.53) GPR52S1PR5S1PR4FOLH1
SCHEMBL1856606 0.76 GPR52 (0.48) GPR52S1PR5S1PR4
SCHEMBL1856933 0.75 GPR52 (0.57) GPR52
SCHEMBL1848254 0.75 GPR52 (0.47) GPR52S1PR5S1PR4

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