SCHEMBL1114405

SCHEMBL1114405

Oc1c(Cl)cc(C2N=CON2Cc2ccc(Oc3cccc(F)c3)cc2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.36
P2RX3 P56373 2/20 0.36
MLNR O43193 2/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
FFAR4 Q5NUL3 4/20 0.34
FFAR1 O14842 1/20 0.34
MGLL Q99685 1/20 0.34
KCNH2 Q12809 1/20 0.33
SCN3A Q9NY46 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 1/20 0.33
DRD4 P21917 3/20 0.32
FAAH O00519 1/20 0.32
KLKB1 P03952 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL1114555 0.90 NAAA (0.35) FFAR1MGLLMMP2MMP3MMP9
SCHEMBL1114304 0.79 HCRTR1 (0.36)
SCHEMBL1114404 0.70 EGLN1 (0.38) EGLN1P2RX3MLNRHTR2CHTR2B
SCHEMBL1114833 0.70 HSD17B13 (0.38)
SCHEMBL12603800 0.64 MMP14 (0.46) HTR2CHTR2BMGLLKCNH2SCN3A
SCHEMBL32670407 0.64 MMP14 (0.46) EGLN1HTR2CHTR2BFFAR4FFAR1
SCHEMBL6159557 0.64 MMP14 (0.46) EGLN1HTR2CHTR2BFFAR4FFAR1
SCHEMBL6290496 0.63 ALDH1A1 (0.54) FFAR4FFAR1MGLLKCNH2SCN3A
SCHEMBL6289347 0.63 ALDH1A1 (0.54) FFAR4FFAR1MGLLKCNH2SCN3A
SCHEMBL9467645 0.63 FFAR1 (0.45) FFAR4FFAR1MGLLKCNH2SCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2278879-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2011-02-02 EP claimed
WO-2009131957-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO claimed
EP-2278879-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2011-02-02 EP disclosed
WO-2009131957-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO disclosed