SCHEMBL4594200

SCHEMBL4594200

CCOc1cc(CN(c2nc3c(C(=O)OC)cccc3o2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.37
HTR3A P46098 2/20 0.36
TOP2A P11388 2/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
KCNH2 Q12809 2/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
TACR1 P25103 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL4593471 0.92 SSTR5 (0.38) SSTR5HTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL4594360 0.90 MAPT (0.41) SSTR5HTR3ATOP2ASLC6A2SLC6A4
SCHEMBL4593298 0.89 HTR3A (0.36) SSTR5HTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL4593363 0.89 SSTR5 (0.37) SSTR5HTR3ATOP2ASLC6A2SLC6A4
SCHEMBL4594440 0.88 HTR3A (0.37) SSTR5HTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL4594926 0.87 SSTR5 (0.37) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5486981 0.87 SSTR5 (0.37) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4594514 0.85 SSTR5 (0.46) SSTR5KCNH2
SCHEMBL4593433 0.85 SSTR5 (0.37) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4593756 0.85 SSTR5 (0.47) SSTR5KCNH2LMNASMN1; SMN2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP claimed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO claimed
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed