SCHEMBL4958091

SCHEMBL4958091

CCOc1cc(CN2CCC(N(c3nc4ncccc4o3)N(c3nc4ncccc4o3)C3CCNCC3)CC2)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 18/20 0.52
HRH1 P35367 4/20 0.51
HTR2B P41595 1/20 0.51
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
KCNH2 Q12809 2/20 0.44

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
SCHEMBL4956810 0.91 SSTR5 (0.51) SSTR5HRH1HTR2B
SCHEMBL4958186 0.91 SSTR5 (0.51) SSTR5HRH1HTR2BKCNH2
SCHEMBL4956805 0.88 SSTR5 (0.46) SSTR5HRH1HTR2BKCNH2
SCHEMBL4955292 0.87 SSTR5 (0.64) SSTR5HRH1HTR2BKCNH2
SCHEMBL4958085 0.86 SSTR5 (0.50) SSTR5HRH1HTR2BKCNH2
SCHEMBL4954333 0.86 SSTR5 (0.42) SSTR5HRH1HTR2BKCNH2
SCHEMBL4955765 0.80 SSTR5 (0.67) SSTR5HRH1HTR2BKCNH2
SCHEMBL4958094 0.80 SSTR5 (0.48) SSTR5HRH1HTR2BBCHEACHE
SCHEMBL4956129 0.80 SSTR5 (0.54) SSTR5HRH1HTR2BBCHEACHE
SCHEMBL3575666 0.78 SSTR5 (0.78) 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