SCHEMBL4593932

SCHEMBL4593932

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.38
HRH1 P35367 1/20 0.38
TP53 P04637 2/20 0.38
HTR3A P46098 3/20 0.35
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 5/20 0.35
SLC6A3 Q01959 5/20 0.35
CMKLR1 Q99788 5/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 2/20 0.33
DHFR P00374 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
SCHEMBL4593363 0.92 SSTR5 (0.37) SSTR5HRH1TP53HTR3ASLC6A2
SCHEMBL4593884 0.91 HTR3A (0.37) SSTR5HRH1TP53HTR3ASLC6A2
SCHEMBL4593471 0.89 SSTR5 (0.38) SSTR5HTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL4594275 0.88 HTR3A (0.36) SSTR5HRH1HTR3ASLC6A2SLC6A4
SCHEMBL4594116 0.87 MAPT (0.41) SSTR5HRH1TP53SLC6A2SLC6A4
SCHEMBL4594138 0.85 SSTR5 (0.44) SSTR5HRH1TP53LMNAKCNH2
SCHEMBL4593584 0.85 SSTR5 (0.35) SSTR5HRH1TP53LMNASMN1; SMN2
SCHEMBL4594292 0.84 SSTR5 (0.39) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4594363 0.83 SSTR5 (0.41) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4593843 0.82 SSTR5 (0.43) SSTR5HRH1CMKLR1KCNH2

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