SCHEMBL5011767

SCHEMBL5011767

[O]c1nc2c(N3CCN(CCc4ccc(OC(F)(F)F)cc4)CC3)cccc2s1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.45
HRH1 P35367 8/20 0.45
KCNH2 Q12809 6/20 0.45
ADRA1B P35368 6/20 0.45
ADRA1A P35348 5/20 0.45
ADRA1D P25100 1/20 0.41
ACHE P22303 1/20 0.41
HTR1A P08908 7/20 0.41
DRD2 P14416 7/20 0.41
HTR2A P28223 7/20 0.41
CYP2C9 P11712 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39

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
SCHEMBL5016310 0.94 HRH3 (0.48) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL5012719 0.93 HRH1 (0.49) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL5011646 0.93 HRH1 (0.48) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL5013338 0.93 HRH1 (0.48) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL5011693 0.87 ADRA1A (0.45) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL2094923 0.85 GRM2 (0.37) DRD2
SCHEMBL2097825 0.84 GRM2 (0.36) DRD2
SCHEMBL2095271 0.83 CHRM4 (0.37) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL2097327 0.82 CHRM4 (0.36) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL2096496 0.82 CHRM4 (0.36) HRH3HRH1KCNH2ADRA1BADRA1A

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-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed