SCHEMBL4594820

SCHEMBL4594820

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.39
KCNH2 Q12809 1/20 0.39
PPARA Q07869 3/20 0.39
PTGDR2 Q9Y5Y4 5/20 0.36
TACR1 P25103 4/20 0.35
PPARD Q03181 2/20 0.34
FFAR1 O14842 1/20 0.34
PPARG P37231 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MC4R P32245 1/20 0.34
HTR2A P28223 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
SCHEMBL4594329 0.93 SSTR5 (0.42) SSTR5KCNH2PTGDR2TACR1POLB
SCHEMBL4594382 0.92 SSTR5 (0.40) SSTR5KCNH2PTGDR2TACR1MC4R
SCHEMBL4594609 0.92 SSTR5 (0.38) SSTR5KCNH2PPARAPTGDR2PPARD
SCHEMBL4594763 0.89 SSTR5 (0.41) SSTR5KCNH2PPARA
SCHEMBL4594591 0.89 GAA (0.42) SSTR5KCNH2PTGDR2
SCHEMBL4593907 0.89 SSTR5 (0.37) SSTR5KCNH2PPARAPPARDPPARG
SCHEMBL4593945 0.89 SSTR5 (0.41) SSTR5KCNH2PPARATACR1FFAR1
SCHEMBL4593823 0.88 SSTR5 (0.37) SSTR5KCNH2PPARAPPARDPPARG
SCHEMBL4593544 0.88 SSTR5 (0.46) SSTR5KCNH2PPARAPTGDR2PPARD
SCHEMBL4593573 0.87 SSTR5 (0.39) SSTR5KCNH2PPARAPPARDPPARG

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