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SCHEMBL4956808

SCHEMBL4956808

CCOc1cc(CN2CCC(N3CCC(N(c4nc5ncccc5o4)c4nc5nc(N)ccc5o4)CC3)CC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SSTR5 P35346 18/20 0.44
▸ HRH1 P35367 5/20 0.44
▸ HTR2B P41595 2/20 0.35
▸ SSTR1 P30872 1/20 0.35
▸ DHFR P00374 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34

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
SCHEMBL4958094 0.89 SSTR5 (0.48) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4956823 0.89 SSTR5 (0.46) SSTR5HRH1HTR2BHRH3
SCHEMBL4954340 0.88 SSTR5 (0.39) SSTR5HRH1HTR2BSSTR1HRH3
SCHEMBL4958188 0.88 SSTR5 (0.47) SSTR5HRH1HTR2BSSTR1HRH3
SCHEMBL4956805 0.80 SSTR5 (0.46) SSTR5HRH1HTR2BKCNH2
SCHEMBL4953706 0.77 SSTR5 (0.46) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4956802 0.77 SSTR5 (0.48) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4956814 0.76 SSTR5 (0.41) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4955518 0.76 SSTR5 (0.45) SSTR5HRH1HTR2BKCNH2
SCHEMBL1381102 0.75 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 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