SCHEMBL1850388

SCHEMBL1850388

N#CCCN(C(=O)c1cccc(-c2cccc3cc(Cc4ccc(F)c(Cl)c4)oc23)c1)c1cccc(-c2cccc3cc(Cc4ccc(F)c(Cl)c4)oc23)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.43
ALDH1A1 P00352 4/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MLYCD O95822 1/20 0.34
MCHR1 Q99705 2/20 0.33
EIF4EBP1 Q13541 1/20 0.32
LMNA P02545 1/20 0.32
FNIP1 Q8TF40 1/20 0.31
FEM1B Q9UK73 1/20 0.31
MAPKAPK2 P49137 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NPC1 O15118 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1849845 0.93 GPR52 (0.44) GPR52ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL1855790 0.90 GPR52 (0.45) GPR52ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL3218910 0.83 GPR52 (0.58) GPR52EIF4EBP1
SCHEMBL1849555 0.81 GPR52 (0.51) GPR52ALDH1A1RAB9ARXFP1NPC1
SCHEMBL1852443 0.81 GPR52 (0.52) GPR52RAB9AEIF4EBP1NPC1L3MBTL1
SCHEMBL1846596 0.81 GPR52 (0.53) GPR52ALDH1A1
SCHEMBL1850387 0.80 GPR52 (0.55) GPR52EIF4EBP1
SCHEMBL3208407 0.76 GPR52 (0.49) GPR52ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL1850974 0.75 GPR52 (0.44) GPR52RXFP1
SCHEMBL1852679 0.75 GPR52 (0.72) GPR52HTT

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