SCHEMBL4949765

SCHEMBL4949765

CCOc1cc(CN2CCC(Nc3nc4cc(N)ccc4o3)CC2)cc(NC(C)=O)c1I

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 19/20 0.65
KCNH2 Q12809 3/20 0.63
HRH1 P35367 6/20 0.61
SSTR1 P30872 3/20 0.61
HTR2B P41595 2/20 0.53

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
SCHEMBL3575810 0.91 SSTR5 (0.71) SSTR5KCNH2HRH1SSTR1HTR2B
SCHEMBL3571969 0.91 SSTR5 (0.75) SSTR5KCNH2HRH1SSTR1
SCHEMBL4951556 0.90 SSTR5 (0.69) SSTR5KCNH2HRH1SSTR1HTR2B
SCHEMBL3575736 0.88 SSTR5 (0.71) SSTR5KCNH2HRH1SSTR1
SCHEMBL3581178 0.88 SSTR5 (0.74) SSTR5KCNH2HRH1SSTR1
SCHEMBL3573617 0.85 SSTR5 (0.74) SSTR5KCNH2HRH1SSTR1HTR2B
SCHEMBL4947648 0.84 SSTR5 (0.83) SSTR5KCNH2HRH1SSTR1HTR2B
SCHEMBL3583957 0.83 SSTR5 (0.74) SSTR5KCNH2HRH1SSTR1
SCHEMBL4947594 0.83 SSTR5 (0.80) SSTR5KCNH2HRH1SSTR1HTR2B
SCHEMBL4949761 0.83 SSTR5 (0.53) SSTR5KCNH2HRH1SSTR1HTR2B

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