SCHEMBL4542952

SCHEMBL4542952

Cc1ncc(Oc2ccc(CNC(=O)c3cccn3-c3ncc(Cl)cc3Cl)cc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
PPARG P37231 1/20 0.47
KMT2A Q03164 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
PTGER4 P35408 1/20 0.41
PTGER2 P43116 1/20 0.41
LIPG Q9Y5X9 1/20 0.39
P2RY12 Q9H244 3/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK14 Q16539 2/20 0.39
CYP3A4 P08684 2/20 0.38
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37

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
SCHEMBL4539888 0.93 MEN1 (0.48) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4542863 0.92 MEN1 (0.46) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4542851 0.91 MEN1 (0.52) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4542457 0.90 MEN1 (0.47) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4542797 0.89 PTGER4 (0.52) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4375551 0.89 MEN1 (0.50) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4543878 0.89 MEN1 (0.53) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4543759 0.89 PPARG (0.47) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4542935 0.87 PPARG (0.49) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4536923 0.87 PPARG (0.49) 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