SCHEMBL13707643

SCHEMBL13707643

CC(C)(C)OC(=O)N1CCC(NC(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PPARG P37231 1/20 0.51
NR2E3 Q9Y5X4 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
HDAC4 P56524 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
USP30 Q70CQ3 3/20 0.44
PKM P14618 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4569647 0.89 MAPT (0.55) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4565675 0.88 MAPT (0.58) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4569596 0.88 MEN1 (0.55) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4539869 0.82 MAPT (0.60) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4569705 0.77 KDM4E (0.54) MAPTMEN1KMT2APPARGNR2E3
SCHEMBL13707693 0.75 MEN1 (0.65) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4565632 0.75 MEN1 (0.60) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL2366233 0.75 KMT2A (0.76) MAPTNPSR1MEN1KMT2ACNR2
SCHEMBL31142882 0.75 KMT2A (0.76) MAPTNPSR1MEN1KMT2ACNR2
SCHEMBL4540292 0.75 MAPT (0.64) MAPTNPSR1CYP1A2CYP3A4CYP2C9

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
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed