SCHEMBL4593776

SCHEMBL4593776

CCOc1cc(CN(c2nc3cc(C(=O)OC)ccc3s2)C2CCNCC2)cc(OCC)c1-c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 18/20 0.40
KCNH2 Q12809 3/20 0.40
SSTR1 P30872 1/20 0.40
NAMPT P43490 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL4594371 0.93 SSTR5 (0.46) SSTR5KCNH2SSTR1
SCHEMBL4594246 0.88 NPC1 (0.44) SSTR5KCNH2SSTR1
SCHEMBL4594394 0.88 SSTR1 (0.39) SSTR5SSTR1HDAC6
SCHEMBL4593325 0.87 SSTR5 (0.46) SSTR5KCNH2SSTR1
SCHEMBL4593786 0.84 SSTR5 (0.35) SSTR5KCNH2
SCHEMBL4594240 0.84 SSTR5 (0.36) SSTR5KCNH2SSTR1
SCHEMBL4594383 0.84 SSTR5 (0.42) SSTR5KCNH2SSTR1
SCHEMBL4594097 0.82 SSTR5 (0.48) SSTR5KCNH2SSTR1
SCHEMBL3978900 0.80 SSTR5 (0.44) SSTR5KCNH2SSTR1
SCHEMBL4593898 0.80 SSTR5 (0.45) SSTR5SSTR1

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