SCHEMBL27666016

SCHEMBL27666016

FC(F)(F)c1cccc(CC2CCN(c3ccnc4ccccc34)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.47
NCF1 P14598 2/20 0.47
HTR6 P50406 2/20 0.44
TACR1 P25103 1/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
MGLL Q99685 3/20 0.42
HRH3 Q9Y5N1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
F10 P00742 2/20 0.42
KCNH2 Q12809 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL2090834 0.88 ADRB2 (0.49) ADRB2NCF1HTR6MGLL
SCHEMBL2090832 0.88 ADRB2 (0.49) ADRB2NCF1HTR6DRD2MGLL
SCHEMBL28761513 0.79 CHRM4 (0.49) ADRB2NCF1F10SLC6A2SLC6A4
SCHEMBL27644867 0.75 ADRB2 (0.46) ADRB2NCF1DRD2F10KCNH2
SCHEMBL27645178 0.75 ADRB2 (0.51) ADRB2NCF1DRD2F10KCNH2
SCHEMBL7136526 0.74 ADRB2 (0.65) ADRB2NCF1DRD2HRH3KDM4E
SCHEMBL29722401 0.74 ADRB2 (0.58) ADRB2NCF1DRD2KDM4EF10
SCHEMBL18980471 0.74 ADRB2 (0.58) ADRB2NCF1DRD2KDM4EF10
SCHEMBL6186822 0.74 ADRB2 (0.62) ADRB2NCF1DRD2F10KCNH2
SCHEMBL27645199 0.74 HRH3 (0.41) HTR6HTR1ADRD2HTR2AMGLL

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