SCHEMBL4569596

SCHEMBL4569596

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PPARG P37231 1/20 0.55
NR2E3 Q9Y5X4 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
MAPT P10636 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PKM P14618 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CHRM4 P08173 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RORC P51449 1/20 0.49
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
TGFBR1 P36897 1/20 0.45
TP53 P04637 2/20 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
SCHEMBL4569705 0.90 KDM4E (0.54) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4565632 0.88 MEN1 (0.60) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL13707643 0.88 MAPT (0.54) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL13707722 0.85 KDM4E (0.48) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4543944 0.84 MEN1 (0.59) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4539876 0.83 MEN1 (0.62) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4543049 0.83 MEN1 (0.62) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4541706 0.81 CHRM4 (0.58) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL13707693 0.78 MEN1 (0.65) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4569647 0.77 MAPT (0.55) MEN1KMT2APPARGNR2E3NCOR2

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