SCHEMBL1850259

SCHEMBL1850259

O=C(NCCO)c1cccc(-c2cccc3cc(C(OC(=O)c4cccc(-c5cccc6cc(C(O)c7cccc(C(F)(F)F)c7)sc56)c4)c4cccc(C(F)(F)F)c4)sc23)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 17/20 0.61
SCD O00767 1/20 0.41
S1PR4 O95977 1/20 0.40
S1PR5 Q9H228 1/20 0.40
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3209079 0.93 GPR52 (0.70) GPR52SCDS1PR4S1PR5ALDH1A1
SCHEMBL1861066 0.93 GPR52 (0.64) GPR52SCDS1PR4S1PR5ALDH1A1
SCHEMBL1851846 0.87 GPR52 (0.45) GPR52SCDS1PR4S1PR5ALDH1A1
SCHEMBL1850452 0.86 GPR52 (0.46) GPR52SCDS1PR4S1PR5ALDH1A1
SCHEMBL3218871 0.86 GPR52 (0.71) GPR52SCDS1PR4S1PR5ALDH1A1
SCHEMBL3209848 0.84 GPR52 (0.66) GPR52S1PR4S1PR5ALDH1A1POLB
SCHEMBL1848384 0.83 GPR52 (0.65) GPR52S1PR4S1PR5
SCHEMBL3198211 0.82 GPR52 (0.70) GPR52SCDS1PR4S1PR5ALDH1A1
SCHEMBL3204669 0.81 GPR52 (0.49) GPR52SCDS1PR4S1PR5ALDH1A1
SCHEMBL1849541 0.80 GPR52 (0.66) GPR52SCDS1PR4S1PR5ALDH1A1

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
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed