SCHEMBL4593907

SCHEMBL4593907

CCOc1cc(CN(c2nc3cc(OCCO)ccc3o2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.37
KCNH2 Q12809 1/20 0.37
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PPARD Q03181 8/20 0.34
PPARA Q07869 8/20 0.34
PPARG P37231 5/20 0.34
DRD2 P14416 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 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
SCHEMBL4593823 0.96 SSTR5 (0.37) SSTR5KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL4593240 0.91 SSTR5 (0.36) SSTR5KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL4594609 0.90 SSTR5 (0.38) SSTR5KCNH2PPARDPPARAPPARG
SCHEMBL4594820 0.89 SSTR5 (0.39) SSTR5KCNH2PPARDPPARAPPARG
SCHEMBL4593573 0.89 SSTR5 (0.39) SSTR5KCNH2PPARDPPARAPPARG
SCHEMBL4594449 0.89 SSTR5 (0.36) SSTR5KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL4593937 0.88 SSTR5 (0.38) SSTR5KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL4593627 0.88 SSTR5 (0.39) SSTR5KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL4594329 0.88 SSTR5 (0.42) SSTR5KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL4594236 0.88 SSTR5 (0.37) SSTR5SLC6A4SLC6A2SLC6A3PPARD

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