SCHEMBL4956129

SCHEMBL4956129

C=CCOc1cc(CN2CCC(N(c3nc4ccccc4o3)N(c3nc4ccccc4o3)C3CCNCC3)CC2)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 19/20 0.54
HRH1 P35367 3/20 0.54
HTR2B P41595 2/20 0.54
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL5491878 0.89 SSTR5 (0.63) SSTR5HRH1HTR2BBCHEACHE
SCHEMBL4956123 0.84 SSTR5 (0.52) SSTR5HRH1HTR2B
SCHEMBL3578359 0.80 SSTR5 (0.83) SSTR5HRH1HTR2B
SCHEMBL4958091 0.80 SSTR5 (0.52) SSTR5HRH1HTR2BBCHEACHE
SCHEMBL4955292 0.80 SSTR5 (0.64) SSTR5HRH1HTR2B
SCHEMBL4955256 0.79 SSTR5 (0.62) SSTR5HRH1HTR2B
SCHEMBL4956130 0.79 SSTR5 (0.48) SSTR5HRH1HTR2BBCHEACHE
SCHEMBL4956137 0.79 SSTR5 (0.48) SSTR5HRH1HTR2BBCHEACHE
SCHEMBL4955765 0.78 SSTR5 (0.67) SSTR5HRH1HTR2B
SCHEMBL4234146 0.77 SSTR5 (0.39) SSTR5HRH1HTR2BBCHEACHE

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