SCHEMBL1854096

SCHEMBL1854096

COCCNC(=O)c1cccc(-c2cccc3cc(CO)sc23)c1.COCCNC(=O)c1cccc(-c2cccc3cc(COc4cccc(F)c4F)sc23)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 5/20 0.59
MRGPRX4 Q96LA9 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
S1PR4 O95977 4/20 0.36
S1PR5 Q9H228 3/20 0.36
FYN P06241 2/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GABRA5 P31644 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
SCHEMBL3197821 0.97 GPR52 (0.62) GPR52MRGPRX4KDM4EALDH1A1HPGD
SCHEMBL1850137 0.87 GPR52 (0.69) GPR52HPGDS1PR4S1PR5RAB9A
SCHEMBL1852312 0.83 GPR52 (0.69) GPR52KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1854620 0.82 GPR52 (0.62) GPR52MRGPRX4S1PR4S1PR5
SCHEMBL1848618 0.80 GPR52 (0.77) GPR52MRGPRX4KDM4EALDH1A1HPGD
SCHEMBL1851711 0.79 GPR52 (0.73) GPR52KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3209427 0.79 GPR52 (0.71) GPR52HPGDS1PR4S1PR5
SCHEMBL1850988 0.79 GPR52 (0.68) GPR52HPGDS1PR4S1PR5RAB9A
SCHEMBL3222989 0.79 GPR52 (0.76) GPR52MRGPRX4ALDH1A1S1PR4S1PR5
SCHEMBL1854490 0.78 GPR52 (0.77) 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