SCHEMBL5007799

SCHEMBL5007799

CCCC[CH]CC(C)CNC(=O)C1COc2ccccc2O1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.64
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
RAB9A P51151 3/20 0.53
POLB P06746 1/20 0.52
HTT P42858 1/20 0.51
GAA P10253 3/20 0.50
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
TSHR P16473 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
MAPK1 P28482 1/20 0.47
PRMT5 O14744 1/20 0.46

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
SCHEMBL7976728 0.79 POLB (0.62) HPGDALDH1A1KDM4ERAB9APOLB
SCHEMBL5008590 0.76 POLB (0.56) HPGDALDH1A1KDM4ERAB9APOLB
SCHEMBL11013240 0.75 HPGD (0.75) HPGDALDH1A1KDM4ERAB9APOLB
SCHEMBL14067517 0.74 POLB (0.69) HPGDALDH1A1KDM4ERAB9APOLB
SCHEMBL4808220 0.73 RAB9A (0.67) HPGDALDH1A1RAB9APOLBHTT
SCHEMBL4651767 0.70 RAB9A (0.71) HPGDALDH1A1RAB9APOLBHTT
SCHEMBL8265142 0.69 HPGD (0.73) HPGDALDH1A1KDM4ERAB9APOLB
SCHEMBL13923633 0.69 RAB9A (0.65) HPGDALDH1A1KDM4ERAB9APOLB
SCHEMBL708029 0.68 POLB (0.77) HPGDALDH1A1RAB9APOLBHTT
SCHEMBL14067814 0.68 POLB (0.60) HPGDALDH1A1KDM4ERAB9APOLB

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-1968946-A1 IMIDAZOLES AS GABA-B RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-09-17 EP claimed
WO-2007073299-A1 IMIDAZOLES AS GABA-B RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-06-28 WO claimed