SCHEMBL1855052

SCHEMBL1855052

FC(F)(F)c1cccc(CCc2cc3cccc(Br)c3s2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
GPR52 Q9Y2T5 6/20 0.41
MIF P14174 1/20 0.41
DAO P14920 1/20 0.40
IDO1 P14902 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HTR2C P28335 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR5 Q9H228 1/20 0.38
DPP4 P27487 1/20 0.38
ACP3 P15309 1/20 0.38
MLNR O43193 1/20 0.37
ABCB11 O95342 1/20 0.37
ADRB1 P08588 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL1849577 0.88 GPR52 (0.51) TAAR1GPR52IDO1
SCHEMBL1848413 0.78 LMNA (0.49)
SCHEMBL1852737 0.76 HTR2A (0.45) TAAR1IDO1HTR2CHTR2AHTR2B
SCHEMBL1854441 0.75 GPR52 (0.45) TAAR1GPR52IDO1
SCHEMBL25444334 0.75 TAAR1 (0.40) TAAR1GPR52MIFDAOIDO1
SCHEMBL1847713 0.74 GPR52 (0.62) GPR52S1PR4S1PR5
SCHEMBL1852707 0.73 GPR52 (0.56) GPR52S1PR4S1PR5
SCHEMBL1855279 0.73 LMNA (0.45) THRATHRBHTT
SCHEMBL13506352 0.72 GPR52 (0.53) TAAR1GPR52IDO1CYP2D6
SCHEMBL17894212 0.70 TAAR1 (0.61) TAAR1MIFDAOIDO1HDAC1

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