SCHEMBL458426

SCHEMBL458426

CC(C)(C)OC(=O)N[C@H]1CNC[C@@H]1c1cccc(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
KDM1A O60341 2/20 0.40
MAOB P27338 2/20 0.38
REN P00797 1/20 0.36
MAOA P21397 1/20 0.36
SSTR4 P31391 3/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAP3K5 Q99683 2/20 0.34
TP53 P04637 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL14722720 0.91 EPHX2 (0.44) EPHX2KDM1AMAOBRENMAOA
SCHEMBL458054 0.91 EPHX2 (0.44) EPHX2KDM1AMAOBRENMAOA
SCHEMBL145667 0.84 FPR1 (0.44) EPHX2KDM1AMAOBMAOAHTR2C
SCHEMBL145666 0.84 FPR1 (0.44) EPHX2KDM1AMAOBMAOAHTR2C
SCHEMBL145665 0.84 FPR1 (0.44) EPHX2KDM1AMAOBMAOAHTR2C
SCHEMBL148173 0.82 KDM1A (0.39) EPHX2KDM1AMAOBMAOANFKB1
SCHEMBL170772 0.82 KDM1A (0.39) EPHX2KDM1AMAOBMAOANFKB1
SCHEMBL462830 0.82 KDM1A (0.39) EPHX2KDM1AMAOBMAOANFKB1
SCHEMBL462835 0.82 FPR1 (0.46) EPHX2KDM1ARENHTR2CHTR2B
SCHEMBL462836 0.82 FPR1 (0.46) EPHX2KDM1ARENHTR2CHTR2B

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-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed