SCHEMBL4306340

SCHEMBL4306340

O=C(O)CNC(=O)c1nc2ccc(-c3cccc(OCc4cccc(F)c4)c3)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 8/20 0.52
MAOB P27338 2/20 0.52
MAOA P21397 1/20 0.52
FAAH O00519 1/20 0.51
ROCK2 O75116 1/20 0.49
PRKACA P17612 1/20 0.49
PRKACG P22612 1/20 0.49
PRKACB P22694 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.46
NR4A2 P43354 1/20 0.45
MMP13 P45452 2/20 0.45
ABL1 P00519 1/20 0.44
DHODH Q02127 2/20 0.43
F9 P00740 1/20 0.42
F10 P00742 1/20 0.42

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
SCHEMBL13625773 0.93 FAAH (0.51) EGLN1MAOBMAOAFAAHROCK2
SCHEMBL4309249 0.82 EGLN1 (0.51) EGLN1MAOBMAOAFAAHROCK2
SCHEMBL4309518 0.79 EGLN1 (0.51) EGLN1MAOBMAOAROCK2PRKACA
SCHEMBL4319371 0.79 EGLN1 (0.46) EGLN1FAAHROCK2PRKACAPRKACG
SCHEMBL4310690 0.79 CNR2 (0.46) EGLN1ROCK2PRKACAPRKACGPRKACB
SCHEMBL4310730 0.76 EGLN1 (0.65) EGLN1FAAHROCK2PRKACAPRKACG
SCHEMBL4303188 0.75 EGLN1 (0.52) EGLN1ROCK2PRKACAPRKACGPRKACB
SCHEMBL4313430 0.74 EGLN1 (0.67) EGLN1ROCK2PRKACAPRKACGPRKACB
SCHEMBL4311056 0.74 EGLN1 (0.48) EGLN1MAOBMAOAFAAHROCK2
SCHEMBL4309178 0.71 EGLN1 (0.51) EGLN1MAOBFAAHROCK2PRKACA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009134754-A1 BENZOIMIDAZOLE GLYCINAMIDES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 WO disclosed