SCHEMBL1121707

SCHEMBL1121707

CC(C)Oc1cc(CN2CCC(Nc3nc4ccc(OC(=O)O)cc4o3)CC2)cc(OC(C)C)c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 17/20 0.73
HRH1 P35367 4/20 0.49
HTR2B P41595 2/20 0.49
SSTR1 P30872 1/20 0.49
KCNH2 Q12809 1/20 0.47
OPRK1 P41145 1/20 0.45

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
SCHEMBL1121718 0.93 SSTR5 (0.73) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL1121435 0.90 SSTR5 (0.73) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL1121477 0.87 SSTR5 (0.72) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL1121999 0.86 SSTR5 (0.73) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL1381246 0.85 SSTR5 (1.00) SSTR5HRH1HTR2BOPRK1
SCHEMBL1121254 0.84 SSTR5 (0.73) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL1121167 0.84 SSTR5 (0.72) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL1121826 0.83 SSTR5 (0.72) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL1121682 0.83 SSTR5 (0.79) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL1121789 0.83 SSTR5 (0.72) SSTR5HRH1HTR2BSSTR1KCNH2

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-1924579-B1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-09 EP claimed