SCHEMBL4594490

SCHEMBL4594490

CCOc1cc(CN2CCC(Nc3nc4c(N)cccc4o3)CC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.64
HRH1 P35367 6/20 0.63
HTR2B P41595 2/20 0.57
SSTR1 P30872 1/20 0.54
KCNH2 Q12809 2/20 0.51

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
SCHEMBL1121137 0.90 SSTR5 (0.65) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL1121366 0.89 SSTR5 (0.75) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL1121279 0.87 SSTR5 (0.64) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL1121370 0.87 SSTR5 (0.64) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL1121768 0.86 SSTR5 (0.61) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL1121364 0.86 SSTR5 (0.61) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL1121496 0.86 SSTR5 (0.58) SSTR5HRH1HTR2BSSTR1
SCHEMBL1121633 0.86 SSTR5 (0.60) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4943961 0.86 SSTR5 (0.75) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL1381102 0.85 SSTR5 (0.65) SSTR5HRH1HTR2BSSTR1

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