SCHEMBL4593544

SCHEMBL4593544

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 8/20 0.46
KCNH2 Q12809 2/20 0.46
SSTR1 P30872 2/20 0.45
HDAC6 Q9UBN7 3/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.35
HPSE Q9Y251 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CSNK2A1 P68400 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
CNR2 P34972 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
SCHEMBL4594604 0.93 SSTR5 (0.54) SSTR5KCNH2SSTR1PTGDR2NPC1
SCHEMBL1380236 0.93 SSTR5 (0.54) SSTR5KCNH2SSTR1HDAC6PTGDR2
SCHEMBL4594514 0.92 SSTR5 (0.46) SSTR5KCNH2SSTR1HDAC6PTGDR2
SCHEMBL4593872 0.92 SSTR5 (0.54) SSTR5KCNH2SSTR1HDAC6PTGDR2
SCHEMBL4595027 0.91 SSTR5 (0.47) SSTR5KCNH2SSTR1
SCHEMBL4594591 0.89 GAA (0.42) SSTR5KCNH2PTGDR2HPSE
SCHEMBL4594138 0.88 SSTR5 (0.44) SSTR5KCNH2SSTR1HDAC6HPSE
SCHEMBL4594820 0.88 SSTR5 (0.39) SSTR5KCNH2PTGDR2POLBTDP1
SCHEMBL4593627 0.87 SSTR5 (0.39) SSTR5KCNH2SSTR1PTGDR2
SCHEMBL4594452 0.86 SSTR5 (0.41) SSTR5KCNH2SSTR1HDAC6PTGDR2

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