SCHEMBL4594382

SCHEMBL4594382

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 6/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
TACR1 P25103 4/20 0.34
HTR2A P28223 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
MC4R P32245 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
SSTR1 P30872 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
SCHEMBL4594820 0.92 SSTR5 (0.39) SSTR5KCNH2TACR1HTR2APTGDR2
SCHEMBL4593573 0.92 SSTR5 (0.39) SSTR5KCNH2
SCHEMBL4594329 0.92 SSTR5 (0.42) SSTR5KCNH2KDM4EALDH1A1HSD17B10
SCHEMBL4594185 0.90 SSTR5 (0.42) SSTR5KCNH2KDM4EALDH1A1HPGD
SCHEMBL4594452 0.89 SSTR5 (0.41) SSTR5KCNH2KDM4EALDH1A1HTR2A
SCHEMBL4594029 0.89 SSTR5 (0.41) SSTR5KCNH2KDM4EALDH1A1HSD17B10
SCHEMBL4593907 0.87 SSTR5 (0.37) SSTR5KCNH2KDM4EALDH1A1HSD17B10
SCHEMBL4594609 0.87 SSTR5 (0.38) SSTR5KCNH2PTGDR2
SCHEMBL4594514 0.87 SSTR5 (0.46) SSTR5KCNH2PTGDR2MAPTSSTR1
SCHEMBL4593823 0.87 SSTR5 (0.37) SSTR5KCNH2HTR2A

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