SCHEMBL4639481

SCHEMBL4639481

CCOc1cc(CN2CCC(Nc3nc4cc(CCC(N)=O)ccc4o3)CC2)cc(OCC)c1F

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.79
KCNH2 Q12809 3/20 0.79
SSTR1 P30872 3/20 0.63
HRH1 P35367 5/20 0.61
HTR2B P41595 1/20 0.59

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
SCHEMBL1121612 0.90 SSTR5 (0.75) SSTR5KCNH2SSTR1HRH1HTR2B
SCHEMBL1121426 0.88 SSTR5 (0.77) SSTR5KCNH2SSTR1HRH1
SCHEMBL3581959 0.88 SSTR5 (1.00) SSTR5KCNH2SSTR1HRH1HTR2B
SCHEMBL1121651 0.88 SSTR5 (0.77) SSTR5KCNH2SSTR1HRH1HTR2B
SCHEMBL1121278 0.88 SSTR5 (0.77) SSTR5KCNH2SSTR1HRH1HTR2B
SCHEMBL1121349 0.88 SSTR5 (0.79) SSTR5KCNH2SSTR1HRH1HTR2B
SCHEMBL1121475 0.87 SSTR5 (0.76) SSTR5KCNH2SSTR1HRH1HTR2B
SCHEMBL4947455 0.87 SSTR5 (0.80) SSTR5KCNH2SSTR1HRH1HTR2B
SCHEMBL1121352 0.87 SSTR5 (0.75) SSTR5KCNH2SSTR1HRH1
SCHEMBL4947594 0.86 SSTR5 (0.80) SSTR5KCNH2SSTR1HRH1HTR2B

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