SCHEMBL1026463

SCHEMBL1026463

O=C(COC(=O)C(F)(F)F)OC1CCN(c2cccc(F)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
HRH3 Q9Y5N1 9/20 0.44
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TTR P02766 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GRM1 Q13255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL1025111 0.88 HTR3E (0.49) HRH3MAPTTTRALDH1A1KDM4E
Acetic Acid SCHEMBL1026461 0.83 FFAR1 (0.49) FFAR1HRH3MAPTTTRGRM1
SCHEMBL1026902 0.82 HRH3 (0.41) HRH3MAPTSMN1; SMN2ALDH1A1ACACB
SCHEMBL1024083 0.78 KDM4E (0.45) MAPTSMN1; SMN2ALDH1A1KDM4ECYP2C9
SCHEMBL1025550 0.78 FFAR1 (0.44) FFAR1HRH3TTRGRM1
SCHEMBL1026519 0.77 MAPT (0.40) HRH3MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1026171 0.77 HRH3 (0.46) HRH3MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1027045 0.76 MAPT (0.43) HRH3MAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1025769 0.75 SCD (0.41) HRH3MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1025527 0.75 MAPT (0.38) MAPTSMN1; SMN2

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-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO disclosed