SCHEMBL5244997

SCHEMBL5244997

O=C1c2ccccc2CN1CCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
SIRT1 Q96EB6 1/20 0.55
DAO P14920 1/20 0.49
ACHE P22303 1/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
DRD5 P21918 1/20 0.47
DRD3 P35462 1/20 0.47
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 2/20 0.47
APAF1 O14727 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
CASP1 P29466 1/20 0.47
BLM P54132 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL741365 0.87 ALOX15 (0.65) KDM4EALOX15TSHRSIRT1ACHE
SCHEMBL29427924 0.87 ALOX15 (0.65) KDM4EALOX15TSHRSIRT1ACHE
SCHEMBL25330979 0.86 NPC1 (0.57) KDM4EALOX15TSHRSIRT1DRD2
SCHEMBL2028744 0.86 KMT2A (0.58) KDM4EALOX15TSHRSIRT1ACHE
SCHEMBL2026440 0.85 DAO (0.44) KDM4EALOX15TSHRSIRT1DAO
SCHEMBL2023370 0.85 ALDH1A1 (0.44) KDM4EALOX15TSHRSIRT1DAO
SCHEMBL5240140 0.82 DRD3 (0.58) KDM4EALOX15TSHRSIRT1ACHE
SCHEMBL5245247 0.81 PARP1 (0.53) DAOALDH1A1PARP1PARP2FFAR1
SCHEMBL2027141 0.81 EGFR (0.45) DAOHTR1ADRD2DRD5DRD3
SCHEMBL2026621 0.81 EGFR (0.45) DAOHTR1ADRD2DRD5DRD3

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
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 WO disclosed