SCHEMBL4944799

SCHEMBL4944799

CCOc1cc(CN2CCC(Nc3nc4cc(N)ccc4o3)CC2)ccc1OC

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.82
HRH1 P35367 5/20 0.81
HTR2B P41595 1/20 0.81
KCNH2 Q12809 2/20 0.79
SSTR1 P30872 1/20 0.71

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
SCHEMBL4951266 0.91 SSTR5 (0.81) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL3572626 0.91 SSTR5 (0.81) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL3570688 0.90 SSTR5 (1.00) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL4951995 0.90 SSTR5 (0.80) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL4944653 0.90 SSTR5 (0.80) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL4949261 0.90 SSTR5 (0.81) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL4952336 0.90 SSTR5 (0.81) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL3579280 0.89 SSTR5 (1.00) SSTR5HRH1HTR2BKCNH2
SCHEMBL3580583 0.89 SSTR5 (0.81) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL4947648 0.89 SSTR5 (0.83) SSTR5HRH1HTR2BKCNH2SSTR1

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 6 patents. 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 claimed
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
EP-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP disclosed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed