SCHEMBL797884

SCHEMBL797884

CC1CN(Cc2cc(N)nc(Cl)c2)CC(C)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.44
CYP2A13 Q16696 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.40
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
TLR7 Q9NYK1 2/20 0.39
HSD17B10 Q99714 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
SLC2A1 P11166 1/20 0.38
GRM2 Q14416 1/20 0.38
PDE1B Q01064 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
SCHEMBL797883 1.00 GAA (0.47) GAALMNAKDM4ETDP1HTT
SCHEMBL20908944 0.90 LMNA (0.53) GAALMNAKDM4ETDP1HTT
SCHEMBL20908946 0.84 GAA (0.48) GAALMNAKDM4ETDP1HTT
SCHEMBL29632582 0.83 GAA (0.40) GAALMNAKDM4ETDP1HTT
SCHEMBL807525 0.77 ATM (0.48) GAALMNAKDM4ETDP1HTT
SCHEMBL29632685 0.76 GRM2 (0.42) GAALMNAKDM4ETDP1HTT
SCHEMBL29632634 0.76 HRH4 (0.47) GAALMNAKDM4ETDP1HTT
SCHEMBL22353526 0.75 GAA (0.46) GAALMNAKDM4ETDP1HTT
SCHEMBL29632461 0.75 GRM2 (0.46) GAALMNAKDM4ETDP1HTT
SCHEMBL29632580 0.75 HRH4 (0.46) GAALMNAKDM4ETDP1HTT

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
WO-2012035055-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-22 WO disclosed