SCHEMBL4949587

SCHEMBL4949587

CCOc1cc(CN2CCC(Nc3nc4cc([N+](=O)[O-])ccc4o3)CC2)cc(OCC)c1-n1cccc1.O=[N+]([O-])c1ccc2oc(NC3CCNCC3)nc2c1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.72
HRH1 P35367 6/20 0.68
SSTR1 P30872 2/20 0.56
KCNH2 Q12809 3/20 0.55
HTR2B P41595 2/20 0.54

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
SCHEMBL3575410 0.96 SSTR5 (0.78) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4956546 0.90 SSTR5 (0.73) SSTR5HRH1SSTR1KCNH2
SCHEMBL4954309 0.89 SSTR5 (0.91) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4953684 0.88 SSTR5 (0.78) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4952835 0.88 SSTR5 (0.77) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4948141 0.88 SSTR5 (0.69) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4955606 0.87 SSTR5 (0.76) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4950476 0.87 SSTR5 (0.76) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4949004 0.87 SSTR5 (0.78) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL3575453 0.85 SSTR5 (0.80) 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