SCHEMBL4949332

SCHEMBL4949332

CCOc1cc(CN2CCC(Nc3nc4cc(NC(=O)CC)ccc4o3)CC2)ccc1OC

nearest known ligand 0.87

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.87
HRH1 P35367 5/20 0.82
SSTR1 P30872 1/20 0.82
KCNH2 Q12809 3/20 0.72
HTR2B P41595 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
SCHEMBL3573184 0.93 SSTR5 (1.00) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL3575448 0.90 SSTR5 (0.83) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL3577881 0.88 SSTR5 (0.82) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL1121507 0.87 SSTR5 (0.78) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL3580583 0.87 SSTR5 (0.81) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL3578756 0.86 SSTR5 (0.77) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4944799 0.85 SSTR5 (0.82) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL3570688 0.85 SSTR5 (1.00) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL1121166 0.85 SSTR5 (0.75) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL1121152 0.85 SSTR5 (0.75) SSTR5HRH1SSTR1KCNH2HTR2B

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