SCHEMBL4593471

SCHEMBL4593471

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.38
CMKLR1 Q99788 6/20 0.37
SLC6A2 P23975 5/20 0.36
SLC6A3 Q01959 5/20 0.36
SLC6A4 P31645 4/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR3A P46098 1/20 0.35
KCNH2 Q12809 3/20 0.35
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TACR1 P25103 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
SCHEMBL4594200 0.92 SSTR5 (0.37) SSTR5SLC6A2SLC6A3SLC6A4LMNA
SCHEMBL4594440 0.90 HTR3A (0.37) SSTR5SLC6A2SLC6A3SLC6A4LMNA
SCHEMBL4593932 0.89 SSTR5 (0.38) SSTR5CMKLR1SLC6A2SLC6A3SLC6A4
SCHEMBL4594116 0.89 MAPT (0.41) SSTR5SLC6A2SLC6A3SLC6A4LMNA
SCHEMBL4593298 0.88 HTR3A (0.36) SSTR5SLC6A2SLC6A3SLC6A4LMNA
SCHEMBL4593861 0.85 SGMS2 (0.40) SMN1; SMN2
SCHEMBL4593624 0.84 SSTR5 (0.35) SSTR5LMNASMN1; SMN2KCNH2TACR1
SCHEMBL4594604 0.83 SSTR5 (0.54) SSTR5SLC6A2SLC6A3SLC6A4LMNA
SCHEMBL4593544 0.83 SSTR5 (0.46) SSTR5KCNH2L3MBTL1
SCHEMBL4594926 0.82 SSTR5 (0.37) SSTR5SLC6A2SLC6A3SLC6A4KCNH2

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