SCHEMBL27644458

SCHEMBL27644458

FC(F)(F)C(F)(F)c1ccc(NC2CCN(c3[c]cnc4ccccc34)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
TLR7 Q9NYK1 4/20 0.35
PAK1 Q13153 2/20 0.33
SCD O00767 1/20 0.32
WHR1 P49842 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
ABL1 P00519 1/20 0.31
HMOX1 P09601 1/20 0.31
PHGDH O43175 1/20 0.31

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
SCHEMBL2095445 0.78 SSTR2 (0.39) DRD2DRD3TLR7PAK1TRPV1
SCHEMBL27644956 0.72 NPC1 (0.50) SCD
SCHEMBL5543629 0.68 ME3 (0.41) CNR1CNR2PHGDH
SCHEMBL5543622 0.68 HDAC1 (0.41) DRD2DRD3PAK1CNR1CNR2
SCHEMBL2091162 0.66 HTR6 (0.34) IRAK4PHGDH
SCHEMBL2095123 0.63 PCSK9 (0.42)
SCHEMBL27644895 0.63 NPC1 (0.52) SCD
SCHEMBL27666318 0.62 GRM2 (0.44) DRD2
SCHEMBL2090674 0.61 IDH2 (0.39) TRPV1PHGDH
SCHEMBL31342940 0.60 PHGDH (0.47) DRD2DRD3PAK1CNR1CNR2

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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed