SCHEMBL4593843

SCHEMBL4593843

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 11/20 0.43
HRH1 P35367 3/20 0.43
CMKLR1 Q99788 1/20 0.39
SSTR1 P30872 2/20 0.38
KCNH2 Q12809 3/20 0.38
HDAC6 Q9UBN7 3/20 0.37
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CREBBP Q92793 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
SCHEMBL4594138 0.92 SSTR5 (0.44) SSTR5HRH1SSTR1KCNH2HDAC6
SCHEMBL5484220 0.92 SSTR5 (0.44) SSTR5HRH1SSTR1KCNH2HDAC6
SCHEMBL4593393 0.89 SSTR5 (0.42) SSTR5HRH1CMKLR1SSTR1KCNH2
SCHEMBL4594514 0.88 SSTR5 (0.46) SSTR5CMKLR1SSTR1KCNH2HDAC6
SCHEMBL4593460 0.88 SSTR5 (0.47) SSTR5CMKLR1SSTR1KCNH2HDAC6
SCHEMBL4594029 0.88 SSTR5 (0.41) SSTR5HRH1SSTR1KCNH2
SCHEMBL4593363 0.87 SSTR5 (0.37) SSTR5HRH1KCNH2
SCHEMBL4594363 0.87 SSTR5 (0.41) SSTR5HRH1SSTR1KCNH2HDAC6
SCHEMBL4594292 0.87 SSTR5 (0.39) SSTR5HRH1SSTR1KCNH2
SCHEMBL4593945 0.86 SSTR5 (0.41) SSTR5HRH1SSTR1KCNH2HDAC6

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