SCHEMBL91265

SCHEMBL91265

CCc1cc(CCCOC)ncc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.41
CYP3A4 P08684 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MCL1 Q07820 2/20 0.33
DAO P14920 1/20 0.33
DGAT2 Q96PD7 1/20 0.32
TLR8 Q9NR97 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 2/20 0.31
TLR7 Q9NYK1 1/20 0.31
PTGS2 P35354 1/20 0.31
GCK P35557 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL8037049 0.81 SMN1; SMN2 (0.37) RENCYP3A4SMN1; SMN2HTTHSD17B10
SCHEMBL662543 0.79 ALDH1A1 (0.35) RENCYP3A4SMN1; SMN2HTTHSD17B10
SCHEMBL664034 0.78 REN (0.41) RENCYP3A4HTTALDH1A1MAPT
SCHEMBL31651921 0.77 GRIN2D (0.38) L3MBTL1ALDH1A1KDM4EPTGS2
SCHEMBL78902 0.77 LMNA (0.41) RENCYP3A4L3MBTL1SMN1; SMN2HTT
SCHEMBL13154804 0.77 REN (0.35) RENCYP3A4SMN1; SMN2HTTHSD17B10
SCHEMBL2635178 0.76 REN (0.44) RENCYP3A4HSD17B10DGAT2ALDH1A1
SCHEMBL665101 0.76 REN (0.36) RENCYP3A4SMN1; SMN2HTTHSD17B10
Hydrochloric Acid SCHEMBL4682923 0.76 REN (0.43) RENCYP3A4HSD17B10DGAT2ALDH1A1
SCHEMBL5141564 0.74 REN (0.43) RENCYP3A4SMN1; SMN2HTTHSD17B10

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
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed