SCHEMBL1114304

SCHEMBL1114304

Oc1c(Cl)cc(C2N=CON2Cc2cccc(OC(F)F)c2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
CETP P11597 4/20 0.35
P2RX7 Q99572 1/20 0.35
DAO P14920 1/20 0.35
KMT2A Q03164 1/20 0.35
KAT2B Q92831 1/20 0.35
MEP1B Q16820 1/20 0.34
PDE2A O00408 1/20 0.34
SCN1A P35498 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33
KIT P10721 1/20 0.33
ALKBH1 Q13686 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
ROCK2 O75116 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33

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 0.78 NAAA (0.35)
SCHEMBL1114291 0.78 CETP (0.35) HCRTR1HCRTR2CETPP2RX7DAO
SCHEMBL1114833 0.70 HSD17B13 (0.38) P2RX7HSD17B13
SCHEMBL1114292 0.69 MEP1B (0.36) HCRTR1HCRTR2CETPP2RX7DAO
SCHEMBL1114303 0.69 MEP1B (0.36) HCRTR1HCRTR2CETPP2RX7DAO
SCHEMBL1114748 0.67 HSD17B13 (0.40) HCRTR1HCRTR2CETPP2RX7HSD17B13
SCHEMBL4504413 0.62 FEN1 (0.39) HCRTR1HCRTR2CETPHSD17B13
SCHEMBL10913301 0.62 MEP1B (0.50) HCRTR1HCRTR2DAOKMT2AMEP1B
SCHEMBL1776057 0.62 MEP1B (0.54) DAOKMT2AMEP1BALKBH1KCNJ5
SCHEMBL1908557 0.62 MEP1B (0.50) HCRTR1HCRTR2CETPDAOMEP1B

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
EP-2278879-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2011-02-02 EP disclosed