SCHEMBL14145409

SCHEMBL14145409

CC(C)(C)OC(=O)N1CCC(Oc2cc(F)cc([N+](=O)[O-])c2)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
USP30 Q70CQ3 1/20 0.44
PIK3CD O00329 7/20 0.43
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
PDE4B Q07343 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
SCHEMBL4278826 1.00 GPR119 (0.45) GPR119ALDH1A1LMNAMAPTUSP30
SCHEMBL4280153 0.94 CHEK2 (0.45) GPR119ALDH1A1LMNAMAPTUSP30
SCHEMBL4280149 0.94 CHEK2 (0.45) GPR119ALDH1A1LMNAMAPTUSP30
SCHEMBL22278188 0.88 GPR119 (0.52) GPR119USP30PIK3CDPIK3CAPIK3CB
SCHEMBL22278189 0.88 GPR119 (0.52) GPR119USP30PIK3CDPIK3CAPIK3CB
SCHEMBL22278273 0.88 GPR119 (0.52) GPR119USP30PIK3CDPIK3CAPIK3CB
SCHEMBL31233745 0.88 USP30 (0.45) GPR119ALDH1A1LMNAMAPTUSP30
SCHEMBL27077000 0.88 USP30 (0.45) GPR119ALDH1A1LMNAMAPTUSP30
SCHEMBL29116484 0.88 USP30 (0.45) GPR119ALDH1A1LMNAMAPTUSP30
SCHEMBL23213645 0.88 ALDH1A1 (0.44) GPR119ALDH1A1LMNAMAPTUSP30

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed