SCHEMBL4594457

SCHEMBL4594457

CCOc1cc(CN(c2nc3cc(N(Cc4ccc(OC)c(OCC)c4)C4CCNCC4)c(C(=O)OC)cc3o2)C2CCNCC2)ccc1OC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 11/20 0.39
REN P00797 3/20 0.39
HDAC6 Q9UBN7 1/20 0.38
HRH1 P35367 4/20 0.38
SSTR1 P30872 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
TP53 P04637 1/20 0.37
KCNH2 Q12809 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTR2B P41595 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL4594247 0.92 SSTR5 (0.39) SSTR5RENHDAC6MAPTLMNA
SCHEMBL4594414 0.92 SSTR5 (0.37) SSTR5HDAC6HRH1SSTR1ALDH1A1
SCHEMBL4594469 0.92 SSTR5 (0.36) SSTR5HDAC6ALDH1A1HTTLMNA
SCHEMBL4594274 0.92 REN (0.41) SSTR5RENHDAC6MAPTLMNA
SCHEMBL4594337 0.92 SSTR5 (0.40) SSTR5HRH1SSTR1ALDH1A1HTT
SCHEMBL4593433 0.89 SSTR5 (0.37) SSTR5ALDH1A1HTTKCNH2SMN1; SMN2
SCHEMBL4594971 0.89 SSTR5 (0.34) SSTR5HRH1SSTR1ALDH1A1HTT
SCHEMBL4594278 0.88 MAPT (0.46) SSTR5RENHDAC6HRH1MAPT
SCHEMBL4594360 0.87 MAPT (0.41) SSTR5RENHRH1ALDH1A1HTT
SCHEMBL4594721 0.85 SSTR5 (0.39) SSTR5RENHDAC6HRH1SSTR1

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