SCHEMBL4594247

SCHEMBL4594247

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.39
ALOX15 P16050 1/20 0.39
REN P00797 3/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR2A P28223 2/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
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) SSTR5RENHDAC6MAPTLMNA
SCHEMBL4594274 0.90 REN (0.41) SSTR5RENHDAC6MAPTLMNA
SCHEMBL4593748 0.89 SSTR5 (0.41) SSTR5ALOX15RENHDAC6MAPT
SCHEMBL4594414 0.85 SSTR5 (0.37) SSTR5HDAC6LMNAGAASLC6A2
SCHEMBL4594469 0.85 SSTR5 (0.36) SSTR5HDAC6LMNASLC6A2SLC6A4
SCHEMBL4594225 0.85 SSTR5 (0.40) SSTR5ALOX15RENHDAC6MAPT
SCHEMBL4594337 0.84 SSTR5 (0.40) SSTR5SLC6A2SLC6A4SMN1; SMN2SLC6A3
SCHEMBL4594971 0.81 SSTR5 (0.34) SSTR5MAPTSLC6A2SLC6A4SMN1; SMN2
SCHEMBL4593433 0.81 SSTR5 (0.37) SSTR5HTR2ASLC6A2SLC6A4SMN1; SMN2
SCHEMBL4594278 0.81 MAPT (0.46) SSTR5RENHDAC6MAPTLMNA

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