SCHEMBL4593947

SCHEMBL4593947

CCOc1cc(CN(c2nc3cc(OCC#N)ccc3o2)C2CCNCC2)cc(OCC)c1-c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 16/20 0.35
KCNH2 Q12809 6/20 0.35
SSTR3 P32745 1/20 0.35
SSTR1 P30872 1/20 0.34
IKBKB O14920 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
GRK2 P25098 1/20 0.31
GRK5 P34947 1/20 0.31

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
SCHEMBL4594459 0.91 SSTR5 (0.35) SSTR5KCNH2IKBKBSLC6A2SLC6A4
SCHEMBL4594470 0.90 SSTR5 (0.36) SSTR5KCNH2SSTR3SSTR1SLC6A2
SCHEMBL4593240 0.90 SSTR5 (0.36) SSTR5KCNH2SSTR3SSTR1SLC6A2
SCHEMBL4594449 0.88 SSTR5 (0.36) SSTR5KCNH2SSTR3SSTR1SLC6A2
SCHEMBL4594219 0.88 SSTR5 (0.36) SSTR5KCNH2SSTR1IKBKBSLC6A2
SCHEMBL4594815 0.87 NPC1 (0.40) SSTR5KCNH2SSTR3SSTR1
SCHEMBL4593376 0.87 SSTR5 (0.36) SSTR5KCNH2SSTR3SSTR1SLC6A2
SCHEMBL4594566 0.86 HTR2A (0.35) SSTR5KCNH2SSTR3SSTR1
SCHEMBL4593265 0.85 SSTR5 (0.40) SSTR5KCNH2SSTR3SSTR1SLC6A2
SCHEMBL4594753 0.84 MAPT (0.37) 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