SCHEMBL4593376

SCHEMBL4593376

CCOc1cc(CN(c2nc3cc(OS(C)(=O)=O)ccc3o2)C2CCNCC2)cc(OCC)c1-c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 15/20 0.36
KCNH2 Q12809 6/20 0.36
SSTR1 P30872 1/20 0.35
SSTR3 P32745 1/20 0.35
GRK5 P34947 1/20 0.35
HDAC6 Q9UBN7 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL4594894 0.91 SSTR5 (0.38) SSTR5KCNH2SSTR1GRK5HDAC6
SCHEMBL4594470 0.89 SSTR5 (0.36) SSTR5KCNH2SSTR1SSTR3GRK5
SCHEMBL4593240 0.88 SSTR5 (0.36) SSTR5KCNH2SSTR1SSTR3SLC6A2
SCHEMBL4593292 0.88 SSTR5 (0.39) SSTR5KCNH2SSTR1GRK5SLC6A2
SCHEMBL4594815 0.87 NPC1 (0.40) SSTR5KCNH2SSTR1SSTR3
SCHEMBL4594449 0.87 SSTR5 (0.36) SSTR5KCNH2SSTR1SSTR3SLC6A2
SCHEMBL4593947 0.87 SSTR5 (0.35) SSTR5KCNH2SSTR1SSTR3GRK5
SCHEMBL4593265 0.85 SSTR5 (0.40) SSTR5KCNH2SSTR1SSTR3SLC6A2
SCHEMBL4595027 0.85 SSTR5 (0.47) SSTR5KCNH2SSTR1
SCHEMBL4594566 0.85 HTR2A (0.35) SSTR5KCNH2SSTR1SSTR3

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