SCHEMBL4594274

SCHEMBL4594274

COC(=O)c1cc2oc(N(Cc3ccc(OC)c(OCCF)c3)C3CCNCC3)nc2cc1N(Cc1ccc(OC)c(OCCF)c1)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.41
SSTR5 P35346 2/20 0.39
HDAC6 Q9UBN7 1/20 0.37
PDE10A Q9Y233 9/20 0.37
PDE3B Q13370 4/20 0.37
PDE3A Q14432 4/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL4594457 0.92 SSTR5 (0.39) RENSSTR5HDAC6LMNAMAPT
SCHEMBL4594247 0.90 SSTR5 (0.39) RENSSTR5HDAC6LMNAMAPT
SCHEMBL4594243 0.89 REN (0.41) RENSSTR5HDAC6PDE10APDE3B
SCHEMBL4594422 0.85 REN (0.42) RENSSTR5HDAC6PDE10APDE3B
SCHEMBL4594414 0.84 SSTR5 (0.37) SSTR5HDAC6LMNASMN1; SMN2SLC6A2
SCHEMBL4594469 0.84 SSTR5 (0.36) SSTR5HDAC6LMNASMN1; SMN2SLC6A2
SCHEMBL4594337 0.83 SSTR5 (0.40) SSTR5SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL4593433 0.82 SSTR5 (0.37) SSTR5SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL4594971 0.82 SSTR5 (0.34) SSTR5MAPTSMN1; SMN2SLC6A2SLC6A4
SCHEMBL4594278 0.80 MAPT (0.46) RENSSTR5HDAC6LMNAMAPT

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