SCHEMBL4542595

SCHEMBL4542595

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PPARG P37231 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
CYP2C9 P11712 4/20 0.45
CYP2C19 P33261 4/20 0.45
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CHRM4 P08173 1/20 0.39

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 0.84 MAPT (0.55) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL13707643 0.73 MAPT (0.54) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4569596 0.73 MEN1 (0.55) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4539360 0.73 MAPT (0.64) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4539248 0.72 MAPT (0.54) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4543831 0.72 SMN1; SMN2 (0.51) MAPTNPSR1MEN1KMT2AGAA
SCHEMBL4542879 0.72 MAPT (0.65) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4566916 0.71 GPR119 (0.43) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4540292 0.71 MAPT (0.64) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4539654 0.71 MAPT (0.66) MAPTNPSR1MEN1KMT2APPARG

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