SCHEMBL4594594

SCHEMBL4594594

CCOc1cc(CN(c2nc3cccc(OCCCC(=O)OC)c3o2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
REN P00797 3/20 0.34
HTR2A P28223 2/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
KCNH2 Q12809 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
TACR1 P25103 1/20 0.32
RPS6KA2 Q15349 1/20 0.32

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
SCHEMBL4593346 0.92 PPARG (0.35) SSTR5PPARGPPARDPPARAREN
SCHEMBL4594833 0.92 SSTR5 (0.36) SSTR5HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL4594411 0.91 REN (0.43) SSTR5RENSLC6A2SLC6A4SLC6A3
SCHEMBL4594401 0.87 GLA (0.36) SSTR5PPARGPPARDPPARAHTR2A
SCHEMBL4593573 0.86 SSTR5 (0.39) SSTR5PPARGPPARDPPARAKCNH2
SCHEMBL5486981 0.85 SSTR5 (0.37) SSTR5HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL4593591 0.85 REN (0.43) SSTR5PPARARENSLC6A2SLC6A4
SCHEMBL4593955 0.83 SSTR5 (0.39) SSTR5RENSLC6A2SLC6A4SLC6A3
SCHEMBL4594262 0.82 IRAK4 (0.35) SSTR5HTR2AKCNH2MEN1KMT2A
SCHEMBL4594237 0.81 SSTR5 (0.36) SSTR5HTR2ASLC6A2SLC6A4SLC6A3

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