SCHEMBL4594566

SCHEMBL4594566

CCOc1cc(CN(c2nc3cc(OCC(O)CO)ccc3o2)C2CCNCC2)cc(OCC)c1-c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
SSTR5 P35346 13/20 0.34
KCNH2 Q12809 4/20 0.34
SSTR1 P30872 1/20 0.34
SSTR3 P32745 1/20 0.34
PPARD Q03181 4/20 0.33
PPARA Q07869 4/20 0.33
PPARG P37231 3/20 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
SCHEMBL4593240 0.91 SSTR5 (0.36) SSTR5KCNH2SSTR1SSTR3PPARD
SCHEMBL4594449 0.89 SSTR5 (0.36) SSTR5KCNH2SSTR1SSTR3PPARD
SCHEMBL4594470 0.88 SSTR5 (0.36) SSTR5KCNH2SSTR1SSTR3PPARD
SCHEMBL4594815 0.86 NPC1 (0.40) HTR2ASSTR5KCNH2SSTR1SSTR3
SCHEMBL4593947 0.86 SSTR5 (0.35) SSTR5KCNH2SSTR1SSTR3
SCHEMBL4593376 0.85 SSTR5 (0.36) SSTR5KCNH2SSTR1SSTR3
SCHEMBL4594753 0.84 MAPT (0.37) HTR2ASSTR5KCNH2SSTR1
SCHEMBL4593907 0.84 SSTR5 (0.37) HTR2ASSTR5KCNH2PPARDPPARA
SCHEMBL4702988 0.84 SSTR5 (0.40) HTR2ASSTR5KCNH2SSTR3
SCHEMBL4593265 0.83 SSTR5 (0.40) SSTR5KCNH2SSTR1SSTR3PPARD

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 2 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 disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed