SCHEMBL4594097

SCHEMBL4594097

CCOc1cc(CN(c2nc3ccc(C(=O)OC)cc3o2)C2CCNCC2)cc(OCC)c1-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 18/20 0.48
KCNH2 Q12809 3/20 0.48
SSTR1 P30872 1/20 0.48
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CMA1 P23946 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
SCHEMBL4594383 0.94 SSTR5 (0.42) SSTR5KCNH2SSTR1CMA1
SCHEMBL4594370 0.93 SSTR5 (0.54) SSTR5KCNH2SSTR1
SCHEMBL4593756 0.91 SSTR5 (0.47) SSTR5KCNH2SSTR1CTSLCTSS
SCHEMBL4593912 0.88 SSTR5 (0.41) SSTR5KCNH2SSTR1
SCHEMBL4594089 0.88 SSTR5 (0.39) SSTR5KCNH2SSTR1
SCHEMBL4595027 0.87 SSTR5 (0.47) SSTR5KCNH2SSTR1
SCHEMBL4594278 0.86 MAPT (0.46) SSTR5
SCHEMBL4594255 0.86 SSTR5 (0.39) SSTR5KCNH2
SCHEMBL4594626 0.86 SSTR5 (0.40) SSTR5KCNH2SSTR1
SCHEMBL4593265 0.85 SSTR5 (0.40) SSTR5KCNH2SSTR1

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-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed