SCHEMBL4593955

SCHEMBL4593955

CCOc1cc(CN(c2nc3cccc(OCC(=O)OC)c3o2)C2CCNCC2)ccc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.39
REN P00797 3/20 0.39
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
KCNH2 Q12809 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
MAPT P10636 2/20 0.37
MC4R P32245 1/20 0.37
MC5R P33032 1/20 0.37
MC3R P41968 1/20 0.37
TP53 P04637 1/20 0.37
PDE4D Q08499 1/20 0.36
IGF1R P08069 1/20 0.35
TACR1 P25103 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL4593502 0.93 REN (0.39) SSTR5RENHRH1HTR2BSLC6A2
SCHEMBL4594411 0.92 REN (0.43) SSTR5RENHRH1HTR2BSLC6A2
SCHEMBL4594833 0.90 SSTR5 (0.36) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4594237 0.89 SSTR5 (0.36) SSTR5HRH1HTR2BSLC6A2SLC6A4
SCHEMBL4593591 0.88 REN (0.43) SSTR5RENHRH1HTR2BSLC6A2
SCHEMBL4866640 0.87 MAPT (0.41) SSTR5RENHRH1HTR2BSLC6A2
SCHEMBL5492474 0.86 POLB (0.42) SSTR5RENHRH1HTR2BSLC6A2
SCHEMBL4594486 0.85 AGTR1 (0.37) SSTR5RENHRH1HTR2BSLC6A2
SCHEMBL4594185 0.85 SSTR5 (0.42) SSTR5RENHRH1HTR2BSLC6A2
SCHEMBL5478920 0.84 LMNA (0.40) SSTR5RENHRH1HTR2BMAPT

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 4 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 claimed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO claimed
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