SCHEMBL1121308

SCHEMBL1121308

CCOc1cc(CN2CCC(Nc3nc4cccc(NC(=O)c5cncnc5)c4o3)CC2)cc(OCC)c1F

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.62
KCNH2 Q12809 1/20 0.60
HRH1 P35367 3/20 0.52
SSTR1 P30872 1/20 0.51
HTR2B P41595 2/20 0.49

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
SCHEMBL1121459 0.89 SSTR5 (0.62) SSTR5KCNH2HRH1SSTR1HTR2B
SCHEMBL1121436 0.86 SSTR5 (0.64) SSTR5KCNH2HRH1SSTR1HTR2B
SCHEMBL1121438 0.85 SSTR5 (0.64) SSTR5KCNH2HRH1SSTR1HTR2B
SCHEMBL1121441 0.85 SSTR5 (0.64) SSTR5KCNH2HRH1SSTR1HTR2B
SCHEMBL1121276 0.85 SSTR5 (0.59) SSTR5KCNH2HRH1SSTR1HTR2B
SCHEMBL4168538 0.85 SSTR5 (0.63) SSTR5KCNH2HRH1SSTR1HTR2B
SCHEMBL3579228 0.82 SSTR5 (0.69) SSTR5KCNH2HRH1SSTR1HTR2B
SCHEMBL1121650 0.81 SSTR5 (0.68) SSTR5KCNH2HRH1SSTR1HTR2B
SCHEMBL1121498 0.81 SSTR5 (0.75) SSTR5KCNH2HRH1SSTR1HTR2B
SCHEMBL1121959 0.81 SSTR5 (0.75) 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 2 patents. 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
EP-1924579-B1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-09 EP disclosed