SCHEMBL5762473

SCHEMBL5762473

CC(=O)Oc1ccc(Cl)cc1-c1cnc(N2CCOCC2)nc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.46
KDM4E B2RXH2 3/20 0.44
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
NRP1 O14786 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BCL6 P41182 1/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
CNR2 P34972 1/20 0.41
MAPT P10636 3/20 0.41
LRRK2 Q5S007 1/20 0.41
THRB P10828 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 1/20 0.40
MCHR1 Q99705 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL5762469 0.90 AOC3 (0.45) AOC3KDM4ETSHRMAPK1NRP1
SCHEMBL1753405 0.86 KDM4E (0.49) AOC3KDM4ETSHRMAPK1NRP1
SCHEMBL2111718 0.82 AOC3 (0.45) AOC3KDM4ETSHRMAPK1NRP1
SCHEMBL27658660 0.82 CNR2 (0.46) AOC3KDM4ETSHRMAPK1NRP1
SCHEMBL27681014 0.80 POLB (0.48) AOC3KDM4ETSHRMAPK1PIK3R1
SCHEMBL27680984 0.73 POLB (0.48) KDM4ETSHRMAPK1BCL6CNR2
SCHEMBL1310155 0.70 PIK3CA (0.65) PIK3R1PIK3CAMTOR
SCHEMBL1690287 0.69 PTGDR2 (0.56) AOC3KDM4ECNR2RAB9APOLB
SCHEMBL30540190 0.69 TSHR (0.51) KDM4ETSHRMAPK1CNR2CYP1A2
SCHEMBL26635221 0.69 TSHR (0.51) KDM4ETSHRMAPK1CNR2CYP1A2

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-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed
EP-1611091-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-01-04 EP disclosed
WO-2004089885-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-21 WO disclosed