SCHEMBL4594514

SCHEMBL4594514

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 8/20 0.46
KCNH2 Q12809 1/20 0.46
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
CMKLR1 Q99788 1/20 0.39
SSTR1 P30872 1/20 0.39
HDAC6 Q9UBN7 3/20 0.38
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CREBBP Q92793 1/20 0.33
PTGDR2 Q9Y5Y4 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
SCHEMBL4593756 0.94 SSTR5 (0.47) SSTR5KCNH2ALOX5APFEN1CMKLR1
SCHEMBL4593460 0.92 SSTR5 (0.47) SSTR5KCNH2ALOX5APFEN1CMKLR1
SCHEMBL4593544 0.92 SSTR5 (0.46) SSTR5KCNH2SSTR1HDAC6NPC1
SCHEMBL1380236 0.91 SSTR5 (0.54) SSTR5KCNH2ALOX5APFEN1SSTR1
SCHEMBL4594383 0.91 SSTR5 (0.42) SSTR5KCNH2ALOX5APFEN1CMKLR1
SCHEMBL4593843 0.88 SSTR5 (0.43) SSTR5KCNH2ALOX5APFEN1CMKLR1
SCHEMBL4594452 0.88 SSTR5 (0.41) SSTR5KCNH2CMKLR1SSTR1HDAC6
SCHEMBL4593433 0.87 SSTR5 (0.37) SSTR5KCNH2ALOX5APFEN1
SCHEMBL4594382 0.87 SSTR5 (0.40) SSTR5KCNH2SSTR1MAPTPTGDR2
SCHEMBL4594591 0.86 GAA (0.42) SSTR5KCNH2PTGDR2

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