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SCHEMBL1850902

SCHEMBL1850902

O=C(NCC(O)CO)c1cccc(-c2cccc3cc(Cc4cc(F)cc(Cl)c4)sc23)c1.O=C(O)c1cccc(-c2cccc3cc(Cc4cc(F)cc(Cl)c4)sc23)c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 9/20 0.69
▸ ADORA1 P30542 1/20 0.40
▸ S1PR5 Q9H228 7/20 0.39
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ RORC P51449 1/20 0.36
▸ S1PR4 O95977 6/20 0.35
▸ CNR2 P34972 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
SCHEMBL3210028 0.97 GPR52 (0.72) GPR52ADORA1S1PR5ROCK2ROCK1
SCHEMBL3196505 0.88 GPR52 (0.76) GPR52S1PR5S1PR4
SCHEMBL1849572 0.88 GPR52 (0.71) GPR52S1PR5S1PR4
SCHEMBL3220886 0.84 GPR52 (0.81) GPR52S1PR5S1PR4
SCHEMBL3235324 0.84 GPR52 (0.78) GPR52S1PR5S1PR4
SCHEMBL1848147 0.83 GPR52 (0.74) GPR52S1PR5ROCK2S1PR4
SCHEMBL3206485 0.83 GPR52 (0.73) GPR52S1PR5S1PR4
SCHEMBL1851733 0.83 GPR52 (0.76) GPR52S1PR5S1PR4
Hydrochloric Acid SCHEMBL1851153 0.82 GPR52 (0.80) GPR52ADORA1S1PR5S1PR4
SCHEMBL3198777 0.81 GPR52 (1.00) 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