SCHEMBL4593393

SCHEMBL4593393

CCOc1cc(CN(c2nc3cc(CC(=O)OC)ccc3o2)C2CCNCC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 13/20 0.42
HRH1 P35367 5/20 0.42
CMKLR1 Q99788 1/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SSTR1 P30872 2/20 0.35
KCNH2 Q12809 4/20 0.34
HTR2B P41595 1/20 0.34
UTS2R Q9UKP6 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
PPARG P37231 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
SCHEMBL4594363 0.93 SSTR5 (0.41) SSTR5HRH1KDM4EALDH1A1SSTR1
SCHEMBL4594029 0.90 SSTR5 (0.41) SSTR5HRH1KDM4EALDH1A1SSTR1
SCHEMBL4593843 0.89 SSTR5 (0.43) SSTR5HRH1CMKLR1NPC1SSTR1
SCHEMBL4594452 0.89 SSTR5 (0.41) SSTR5HRH1CMKLR1MAPK1KDM4E
SCHEMBL4594138 0.87 SSTR5 (0.44) SSTR5HRH1NPC1SSTR1KCNH2
SCHEMBL5484220 0.87 SSTR5 (0.44) SSTR5HRH1NPC1SSTR1KCNH2
SCHEMBL4593945 0.85 SSTR5 (0.41) SSTR5HRH1SSTR1KCNH2SLC6A2
SCHEMBL5488609 0.84 SSTR5 (0.41) SSTR5HRH1HTR2BSLC6A2SLC6A4
SCHEMBL4594237 0.84 SSTR5 (0.36) SSTR5HRH1MAPK1KCNH2HTR2B
SCHEMBL1378217 0.84 SSTR5 (0.49) SSTR5HRH1SSTR1KCNH2SLC6A2

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