SCHEMBL4566916

SCHEMBL4566916

CC(C)OC(=O)N1CCC(Oc2ccc(CNC(=O)c3cccn3-c3ncc(Cl)cc3Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.43
EPHX2 P34913 10/20 0.41
MEN1 O00255 1/20 0.41
PPARG P37231 1/20 0.41
KMT2A Q03164 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
CYP2C9 P11712 3/20 0.40
CYP2J2 P51589 3/20 0.40
ACACB O00763 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4566915 0.83 MEN1 (0.39) EPHX2MEN1PPARGKMT2ANR2E3
SCHEMBL4539888 0.78 MEN1 (0.48) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4542851 0.78 MEN1 (0.52) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4542952 0.76 MEN1 (0.47) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4539445 0.76 MEN1 (0.54) EPHX2MEN1PPARGKMT2ANR2E3
SCHEMBL4542797 0.76 PTGER4 (0.52) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4375551 0.76 MEN1 (0.50) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4544019 0.76 PPARG (0.52) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4542863 0.76 MEN1 (0.46) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4542457 0.75 MEN1 (0.47) MEN1PPARGKMT2ANR2E3NCOR2

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