SCHEMBL4955770

SCHEMBL4955770

CCOc1cc(CN2CCC(C3CC(N(N)c4nc5cc(OC(F)(F)F)ccc5o4)CCN3c3nc4cc(OC(F)(F)F)ccc4o3)CC2)ccc1OC

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 19/20 0.60
HRH1 P35367 5/20 0.44
SSTR1 P30872 1/20 0.44
KCNH2 Q12809 2/20 0.43
HTR2B P41595 1/20 0.43
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4953002 0.92 SSTR5 (0.49) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4952100 0.92 SSTR5 (0.48) SSTR5HRH1SSTR1KCNH2
SCHEMBL4958099 0.83 SSTR5 (0.46) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4955300 0.82 SSTR5 (0.57) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4956137 0.81 SSTR5 (0.48) SSTR5HRH1HTR2B
SCHEMBL4955765 0.80 SSTR5 (0.67) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4955267 0.79 SSTR5 (0.55) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4955759 0.78 SSTR5 (0.72) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4946999 0.76 SSTR5 (0.47) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL4956829 0.76 SSTR5 (0.45) SSTR5HRH1HTR2B

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