SCHEMBL8577389

SCHEMBL8577389

O=C1c2c(cc3c(c2O)OCO3)OCC1(c1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.34
GLRB P48167 1/20 0.34
CHRNA1 P02708 3/20 0.32
CHRNB1 P11230 3/20 0.32
CHRNB2 P17787 3/20 0.32
SLC6A2 P23975 3/20 0.32
CHRNB4 P30926 3/20 0.32
SLC6A4 P31645 3/20 0.32
CHRNA3 P32297 3/20 0.32
CHRNA4 P43681 3/20 0.32
SLC6A3 Q01959 3/20 0.32
RAB9A P51151 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 3/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HPGD P15428 2/20 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
SCHEMBL8576046 0.87 HCAR3 (0.32) RAB9ANPC1MAPTSMN1; SMN2HCAR3
SCHEMBL8572760 0.84 PLK1 (0.37) GLRA3GLRBCHRNA1CHRNB1CHRNB2
SCHEMBL8572826 0.80 CYP19A1 (0.37) MEN1KMT2AMAPTHCAR3HCAR2
SCHEMBL8577398 0.80 GAA (0.38) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL8574170 0.78 GAA (0.39) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL8577569 0.76 ABCG2 (0.42) NPC1MAPTSMN1; SMN2TSHRHCAR3
SCHEMBL8575371 0.72 HTR6 (0.42) MEN1KMT2AMAPTMAPK1HPGD
SCHEMBL8574474 0.71 PLK1 (0.37) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL8576216 0.67 GAA (0.38) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL8577388 0.66 GAA (0.39) RAB9AMEN1KMT2ANPC1MAPT

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
WO-1998017662-A1 PHENYL-SUBSTITUTED BICYCLIC HETEROCYCLYL DERIVATIVES AND THEIR USE NOVARTIS AG (CH) 1998-04-30 WO claimed
WO-1998017662-A1 PHENYL-SUBSTITUTED BICYCLIC HETEROCYCLYL DERIVATIVES AND THEIR USE NOVARTIS AG (CH) 1998-04-30 WO disclosed