SCHEMBL4593884

SCHEMBL4593884

CCOc1cc(CN(c2nc3c(C(=O)NCC(=O)O)cccc3o2)C2CCNCC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 9/20 0.37
SSTR5 P35346 1/20 0.35
HRH1 P35367 1/20 0.35
CYP2C19 P33261 1/20 0.32
KCNH2 Q12809 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
TP53 P04637 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4594275 0.94 HTR3A (0.36) HTR3ASSTR5HRH1CYP2C19KCNH2
SCHEMBL4593932 0.91 SSTR5 (0.38) HTR3ASSTR5HRH1KCNH2SLC6A2
SCHEMBL4594440 0.90 HTR3A (0.37) HTR3ASSTR5CYP2C19KCNH2SLC6A2
SCHEMBL4593363 0.89 SSTR5 (0.37) HTR3ASSTR5HRH1KCNH2SLC6A2
SCHEMBL4593974 0.89 LMNA (0.39) HTR3ASSTR5HRH1KCNH2SLC6A2
SCHEMBL4593298 0.83 HTR3A (0.36) HTR3ASSTR5KCNH2SLC6A2SLC6A4
SCHEMBL4593431 0.83 LMNA (0.39) HTR3ASSTR5HRH1TP53LMNA
SCHEMBL4593584 0.82 SSTR5 (0.35) SSTR5HRH1USP2TP53LMNA
SCHEMBL4594292 0.81 SSTR5 (0.39) SSTR5HRH1KCNH2SLC6A2SLC6A4
SCHEMBL4593945 0.81 SSTR5 (0.41) SSTR5HRH1KCNH2SLC6A2SLC6A4

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