SCHEMBL4955264

SCHEMBL4955264

CCOc1cc(CN2CCC(N3CCC(N(c4nc5ccccc5o4)c4nc5c(N)cccc5o4)CC3)CC2)cc(OCC)c1N

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 19/20 0.56
HRH1 P35367 5/20 0.43
HTR2B P41595 3/20 0.43
SSTR1 P30872 1/20 0.43
CXCR3 P49682 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4956130 0.83 SSTR5 (0.48) SSTR5HRH1HTR2B
SCHEMBL4953706 0.81 SSTR5 (0.46) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4955256 0.78 SSTR5 (0.62) SSTR5HRH1HTR2BSSTR1CXCR3
SCHEMBL4955518 0.75 SSTR5 (0.45) SSTR5HRH1HTR2BKCNH2
SCHEMBL4946994 0.74 SSTR5 (0.40) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4955248 0.74 SSTR5 (0.59) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4956269 0.73 SSTR5 (0.48) SSTR5HRH1HTR2B
SCHEMBL4955267 0.73 SSTR5 (0.55) SSTR5HRH1HTR2BSSTR1CXCR3
SCHEMBL4956808 0.72 SSTR5 (0.44) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4955296 0.72 SSTR5 (0.58) SSTR5HRH1HTR2BKCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed