SCHEMBL4707666

SCHEMBL4707666

c1ccc(COCc2cccc3ncc4nc5n(c4c23)CCOC5)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.40
TP53 P04637 9/20 0.38
MAPT P10636 8/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MPI P34949 1/20 0.36
SNCA P37840 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP11B2 P19099 1/20 0.35
MAPK1 P28482 3/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE9A O76083 1/20 0.32

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
SCHEMBL1775324 0.91 GRM5 (0.36) GRM5TP53MAPTNPC1RAB9A
SCHEMBL1776124 0.83 GRM5 (0.36) GRM5TP53MAPTNPC1RAB9A
SCHEMBL311936 0.76 PRKDC (0.45) GRM5TP53MAPTNPC1RAB9A
SCHEMBL2244245 0.75 DCPS (0.34) GRM5KDM4EL3MBTL1
SCHEMBL4710518 0.73 POLB (0.34) GRM5TP53MAPTNPC1RAB9A
SCHEMBL4705810 0.73 ALDH1A1 (0.36) GRM5TP53MAPTNPC1RAB9A
SCHEMBL4705375 0.72 GRM5 (0.33) GRM5LMNAKDM4EL3MBTL1MAPK1
SCHEMBL4704785 0.70 POLB (0.33) GRM5TP53MAPTNPC1RAB9A
SCHEMBL1775006 0.70 MAPT (0.36) GRM5TP53MAPTNPC1RAB9A
SCHEMBL1775702 0.65 GRM5 (0.39) GRM5KDM4EL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831226-A4 CHIRAL FUSED 1,2 IMIDAZO 4,5-c RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-11-05 EP disclosed
EP-1831226-A2 CHIRAL FUSED 1,2 IMIDAZO 4,5-c RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-12 EP disclosed
WO-2006074003-A2 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-07-13 WO disclosed