SCHEMBL27645280

SCHEMBL27645280

Clc1cc(Cl)cc(OC2CCN(c3cccc4s[c]nc34)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.38
CCR3 P51677 7/20 0.38
KCNH2 Q12809 7/20 0.38
EPHX2 P34913 1/20 0.35
ACLY P53396 1/20 0.34
SCN9A Q15858 2/20 0.33
FPR2 P25090 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CNR1 P21554 1/20 0.32
OPRK1 P41145 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR1 O14842 1/20 0.32
CHRM4 P08173 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
SCHEMBL27666274 0.80 MAPT (0.41) CCR3SLC6A2SLC6A4GAASMN1; SMN2
SCHEMBL2088110 0.79 HRH1 (0.37) HRH1CCR3KCNH2EPHX2ACLY
SCHEMBL2088107 0.79 HRH1 (0.37) HRH1CCR3KCNH2EPHX2ACLY
SCHEMBL27666228 0.78 SCD (0.40) SCN9AFPR2PROKR1SLC6A2SLC6A3
SCHEMBL558603 0.70 SMN1; SMN2 (0.43) GAASMN1; SMN2
SCHEMBL27666298 0.70 SSTR2 (0.36) HRH1CCR3KCNH2ACLYSLC6A2
SCHEMBL27644980 0.69 CTSS (0.42) HRH3CHRM4
SCHEMBL27666262 0.68 KDM4E (0.33) SLC6A2SLC6A4SLC6A3HRH3SMN1; SMN2
SCHEMBL2096714 0.67 MAPT (0.42) HRH1CCR3KCNH2ACLYHRH3
SCHEMBL2096718 0.67 MAPT (0.42) HRH1CCR3KCNH2ACLYHRH3

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