SCHEMBL4593573

SCHEMBL4593573

CCOc1cc(CN(c2nc3cc(OCCCC(=O)OC)ccc3o2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.39
KCNH2 Q12809 1/20 0.39
PPARG P37231 8/20 0.37
PPARD Q03181 11/20 0.37
PPARA Q07869 11/20 0.37
PDE3B Q13370 4/20 0.36
PDE3A Q14432 4/20 0.36
P2RY12 Q9H244 3/20 0.35
PDE2A O00408 2/20 0.35
DRD2 P14416 1/20 0.34

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
SCHEMBL4594609 0.93 SSTR5 (0.38) SSTR5KCNH2PPARGPPARDPPARA
SCHEMBL4594382 0.92 SSTR5 (0.40) SSTR5KCNH2
SCHEMBL4593246 0.91 SSTR5 (0.41) SSTR5KCNH2PPARGPPARDPPARA
SCHEMBL4593823 0.89 SSTR5 (0.37) SSTR5KCNH2PPARGPPARDPPARA
SCHEMBL4593907 0.89 SSTR5 (0.37) SSTR5KCNH2PPARGPPARDPPARA
SCHEMBL4594452 0.87 SSTR5 (0.41) SSTR5KCNH2
SCHEMBL4594820 0.87 SSTR5 (0.39) SSTR5KCNH2PPARGPPARDPPARA
SCHEMBL4594329 0.86 SSTR5 (0.42) SSTR5KCNH2
SCHEMBL4594594 0.86 SSTR5 (0.35) SSTR5KCNH2PPARGPPARDPPARA
SCHEMBL4593310 0.85 REN (0.41) SSTR5KCNH2PPARGPPARDPPARA

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