SCHEMBL5013286

SCHEMBL5013286

[O]c1nc2cc(N3CCN(CCCCCCc4ccc(C(F)(F)F)cc4)CC3)ccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.51
SIGMAR1 Q99720 3/20 0.51
HTR2C P28335 5/20 0.50
CETP P11597 1/20 0.44
SLC6A4 P31645 3/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD4 P21917 2/20 0.42
DRD2 P14416 5/20 0.42
HTR2A P28223 5/20 0.42
DRD1 P21728 2/20 0.42
DRD3 P35462 2/20 0.42
DRD5 P21918 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
HTR7 P34969 4/20 0.42
HTR6 P50406 2/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 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
SCHEMBL5016189 0.96 HTR1A (0.49) HTR1ASIGMAR1HTR2CCETPSLC6A4
SCHEMBL5012728 0.91 SIGMAR1 (0.52) HTR1ASIGMAR1HTR2CCETPSLC6A4
SCHEMBL2094724 0.86 HTR1A (0.37) HTR1ASIGMAR1HTR2CCETPSLC6A4
SCHEMBL2095906 0.83 MAOB (0.38) HTR1ASIGMAR1HTR2CCETPSLC6A4
SCHEMBL27645223 0.82 SIGMAR1 (0.54) HTR1ASIGMAR1HTR2CCETPSLC6A4
SCHEMBL5537510 0.79 SIGMAR1 (0.57) HTR1ASIGMAR1HTR2CSLC6A4SLC6A2
SCHEMBL5541921 0.79 SIGMAR1 (0.57) HTR1ASIGMAR1HTR2CSLC6A4SLC6A2
SCHEMBL5012696 0.79 SIGMAR1 (0.46) HTR1ASIGMAR1HTR2CSLC6A4ADRA1D
SCHEMBL27644378 0.78 SIGMAR1 (0.49) HTR1ASIGMAR1HTR2CCETPSLC6A4
SCHEMBL5539608 0.78 SIGMAR1 (0.58) HTR1ASIGMAR1HTR2CSLC6A4SLC6A2

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