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SCHEMBL1853348

SCHEMBL1853348

CCOC(=O)c1ccc(F)c(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)c1.O=C(O)c1ccc(F)c(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 15/20 0.52
▸ MAPT P10636 2/20 0.42
▸ PTGER4 P35408 1/20 0.41
▸ PTGER2 P43116 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ S1PR4 O95977 1/20 0.40
▸ S1PR5 Q9H228 1/20 0.40
▸ NR4A2 P43354 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
SCHEMBL1853257 0.97 GPR52 (0.55) GPR52MAPTALDH1A1HPGD
SCHEMBL3221421 0.92 GPR52 (0.57) GPR52PTGER4PTGER2S1PR4S1PR5
SCHEMBL1857569 0.88 GPR52 (0.56) GPR52S1PR4S1PR5
SCHEMBL1863284 0.87 GPR52 (0.59) GPR52MAPTPTGER4PTGER2S1PR4
SCHEMBL3198653 0.86 GPR52 (0.56) GPR52PTGER4PTGER2S1PR4S1PR5
SCHEMBL1850068 0.85 GPR52 (0.57) GPR52PTGER4PTGER2
SCHEMBL1854179 0.85 GPR52 (0.62) GPR52MAPTALDH1A1HPGDS1PR4
SCHEMBL1848119 0.84 GPR52 (0.71) GPR52MAPTALDH1A1HPGDS1PR4
SCHEMBL1851958 0.84 GPR52 (0.51) GPR52MAPTALDH1A1HPGDNR4A2
SCHEMBL3223178 0.84 GPR52 (0.60) GPR52S1PR4S1PR5

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