SCHEMBL27645199

SCHEMBL27645199

FC(F)(F)c1cccc(CC2CCN(c3cccc4scnc34)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
KCNN4 O15554 2/20 0.41
HTR6 P50406 1/20 0.41
MAOB P27338 1/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
MGLL Q99685 5/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RPS6KB1 P23443 1/20 0.37

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
SCHEMBL27666219 0.92 HTR1A (0.38) HRH3KCNN4HTR6MAOBHTR1A
SCHEMBL2096558 0.84 KCNN4 (0.41) HRH3KCNN4HTR6MAOBMGLL
SCHEMBL2096561 0.84 MGLL (0.41) HRH3KCNN4HTR6MAOBMGLL
SCHEMBL27665953 0.83 KDM4E (0.52) KCNN4HTR6HTR1ADRD2HTR2A
SCHEMBL27665965 0.80 HTR1A (0.40) HTR1ADRD2HTR2A
SCHEMBL27645196 0.80 DRD2 (0.41) HTR1ADRD2HTR2ASLC6A2SLC6A4
SCHEMBL27644493 0.79 TP53 (0.46) HTR1ADRD2HTR2ASLC6A2SLC6A4
SCHEMBL2098701 0.77 MGLL (0.35) HRH3MGLLKDM4E
SCHEMBL2098699 0.77 HRH3 (0.34) HRH3KCNN4MGLL
SCHEMBL27645101 0.76 DCPS (0.41) HTR1ADRD2HTR2ASLC6A3

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