SCHEMBL4947648

SCHEMBL4947648

CCOc1cc(CN2CCC(Nc3nc4cc(N)ccc4o3)CC2)cc(OCC)c1N

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 19/20 0.83
HRH1 P35367 5/20 0.79
SSTR1 P30872 2/20 0.79
KCNH2 Q12809 3/20 0.68
HTR2B P41595 2/20 0.64

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
SCHEMBL4947594 0.93 SSTR5 (0.80) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL3570050 0.91 SSTR5 (1.00) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4950939 0.90 SSTR5 (0.69) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4951995 0.90 SSTR5 (0.80) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4944653 0.90 SSTR5 (0.80) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4943961 0.89 SSTR5 (0.75) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4944799 0.89 SSTR5 (0.82) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4949261 0.89 SSTR5 (0.81) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4952336 0.89 SSTR5 (0.81) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL27715563 0.89 SSTR5 (0.88) SSTR5HRH1SSTR1KCNH2

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