SCHEMBL6320455

SCHEMBL6320455

O=C(COc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.61
MAPT P10636 7/20 0.56
HPGD P15428 2/20 0.56
GSK3B P49841 1/20 0.56
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 1/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ABCB1 P08183 1/20 0.52
AKR1C3 P42330 1/20 0.51
USP2 O75604 1/20 0.50
HSD11B1 P28845 1/20 0.50
ENPP2 Q13822 1/20 0.50
ALDH1A1 P00352 2/20 0.49
RAF1 P04049 1/20 0.49
PDGFRB P09619 1/20 0.49

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
SCHEMBL27608865 0.88 FAAH (0.53) FKBP1AMAPTHPGDGSK3BMAPK1
SCHEMBL6320418 0.87 ALDH1A1 (0.62) MAPTHPGDGSK3BMAPK1LMNA
SCHEMBL6327817 0.81 LMNA (0.73) MAPTMAPK1L3MBTL1LMNACASP3
SCHEMBL27608870 0.80 ALDH1A1 (0.57) FKBP1AMAPTHPGDL3MBTL1GAA
SCHEMBL6320250 0.75 MAPT (0.58) FKBP1AMAPTHPGDGSK3BLMNA
SCHEMBL8088532 0.75 GSK3B (0.57) MAPTHPGDGSK3BMAPK1L3MBTL1
SCHEMBL18867933 0.74 AKR1C3 (0.65) MAPTHPGDMAPK1LMNASMN1; SMN2
SCHEMBL4972149 0.74 AKR1C3 (0.65) MAPTHPGDMAPK1LMNASMN1; SMN2
SCHEMBL11847871 0.74 LMNA (0.64) MAPTHPGDMAPK1L3MBTL1LMNA
SCHEMBL6318784 0.74 MAPT (0.64) MAPTGSK3BMAPK1L3MBTL1LMNA

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
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed