SCHEMBL4956802

SCHEMBL4956802

CCOc1cc(CN2CCC(N(c3nc4nc(Nc5nc6ncccc6o5)ccc4o3)C3CCNCC3)CC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.48
HRH1 P35367 5/20 0.48
HTR2B P41595 2/20 0.38
SSTR1 P30872 2/20 0.35
KCNH2 Q12809 2/20 0.35

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
SCHEMBL4958085 0.90 SSTR5 (0.50) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4956803 0.89 SSTR5 (0.49) SSTR5HRH1HTR2BKCNH2
SCHEMBL4954330 0.89 SSTR5 (0.42) SSTR5HRH1HTR2BSSTR1
SCHEMBL4958180 0.89 SSTR5 (0.50) SSTR5HRH1HTR2BSSTR1
SCHEMBL4956805 0.87 SSTR5 (0.46) SSTR5HRH1HTR2BKCNH2
SCHEMBL1381102 0.79 SSTR5 (0.65) SSTR5HRH1HTR2BSSTR1
SCHEMBL4956808 0.77 SSTR5 (0.44) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4958091 0.76 SSTR5 (0.52) SSTR5HRH1HTR2BKCNH2
SCHEMBL4956810 0.75 SSTR5 (0.51) SSTR5HRH1HTR2B
SCHEMBL4233908 0.74 SSTR5 (0.44) 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