SCHEMBL4594138

SCHEMBL4594138

CCOc1cc(CN(c2nc3cc(C(=O)O)ccc3o2)C2CCNCC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 7/20 0.44
SSTR1 P30872 2/20 0.44
HRH1 P35367 1/20 0.42
HDAC6 Q9UBN7 3/20 0.38
HPSE Q9Y251 2/20 0.37
KCNH2 Q12809 2/20 0.37
NPC1 O15118 4/20 0.34
RAB9A P51151 3/20 0.34
TP53 P04637 2/20 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
CNR2 P34972 1/20 0.33
LMNA P02545 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
SCHEMBL5484220 0.93 SSTR5 (0.44) SSTR5SSTR1HRH1HDAC6KCNH2
SCHEMBL4593843 0.92 SSTR5 (0.43) SSTR5SSTR1HRH1HDAC6KCNH2
SCHEMBL4594363 0.90 SSTR5 (0.41) SSTR5SSTR1HRH1HDAC6HPSE
SCHEMBL4593945 0.89 SSTR5 (0.41) SSTR5SSTR1HRH1HDAC6KCNH2
SCHEMBL4593544 0.88 SSTR5 (0.46) SSTR5SSTR1HDAC6HPSEKCNH2
SCHEMBL4593872 0.88 SSTR5 (0.54) SSTR5SSTR1HDAC6HPSEKCNH2
SCHEMBL4593393 0.87 SSTR5 (0.42) SSTR5SSTR1HRH1KCNH2NPC1
SCHEMBL4594029 0.86 SSTR5 (0.41) SSTR5SSTR1HRH1KCNH2MAPT
SCHEMBL5488609 0.86 SSTR5 (0.41) SSTR5HRH1
SCHEMBL1378217 0.85 SSTR5 (0.49) SSTR5SSTR1HRH1KCNH2

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