SCHEMBL1848384

SCHEMBL1848384

O=C(NCCO)c1cccc(-c2cccc3cc(C(Cc4cccc(C(F)(F)F)c4)OC(=O)c4cccc(-c5cccc6cc(C(O)Cc7cccc(C(F)(F)F)c7)sc56)c4)sc23)c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 18/20 0.65
S1PR4 O95977 1/20 0.41
S1PR5 Q9H228 1/20 0.41
MRGPRX4 Q96LA9 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
SCHEMBL1850259 0.83 GPR52 (0.61) GPR52S1PR4S1PR5
SCHEMBL3209079 0.81 GPR52 (0.70) GPR52S1PR4S1PR5
SCHEMBL1849010 0.80 GPR52 (0.54) GPR52S1PR4S1PR5MRGPRX4
SCHEMBL1851112 0.79 GPR52 (1.00) GPR52
SCHEMBL3209848 0.79 GPR52 (0.66) GPR52S1PR4S1PR5
SCHEMBL1861066 0.76 GPR52 (0.64) GPR52S1PR4S1PR5MRGPRX4
SCHEMBL3218871 0.74 GPR52 (0.71) GPR52S1PR4S1PR5MRGPRX4
SCHEMBL3212807 0.74 GPR52 (0.74) GPR52S1PR4S1PR5MRGPRX4
SCHEMBL3206663 0.73 GPR52 (0.68) GPR52S1PR4S1PR5
SCHEMBL3221109 0.73 GPR52 (0.72) GPR52

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