SCHEMBL4594411

SCHEMBL4594411

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.43
DHFR P00374 3/20 0.38
MC4R P32245 2/20 0.37
MC5R P33032 2/20 0.37
MC3R P41968 2/20 0.37
SSTR5 P35346 5/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
PDE4D Q08499 2/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 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
SCHEMBL4593591 0.94 REN (0.43) RENDHFRMC4RMC5RMC3R
SCHEMBL4593955 0.92 SSTR5 (0.39) RENMC4RMC5RMC3RSSTR5
SCHEMBL4594594 0.91 SSTR5 (0.35) RENSSTR5SLC6A2SLC6A4SLC6A3
SCHEMBL4593502 0.89 REN (0.39) RENMC4RMC5RMC3RSSTR5
SCHEMBL4593246 0.86 SSTR5 (0.41) RENDHFRSSTR5HRH1HTR2B
SCHEMBL4866640 0.85 MAPT (0.41) RENMC4RMC5RMC3RSSTR5
SCHEMBL5492474 0.85 POLB (0.42) RENMC4RMC5RMC3RSSTR5
SCHEMBL4594486 0.84 AGTR1 (0.37) RENMC4RMC5RMC3RSSTR5
SCHEMBL4593346 0.83 PPARG (0.35) RENSSTR5SLC6A2SLC6A4SLC6A3
SCHEMBL5478920 0.83 LMNA (0.40) RENMC4RMC5RMC3RSSTR5

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