SCHEMBL4593368

SCHEMBL4593368

CCOc1cc(CN(c2nc3ccc(C(=O)OC)cc3o2)C2CCNCC2)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 8/20 0.48
HRH1 P35367 2/20 0.38
HTR2B P41595 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
SSTR1 P30872 2/20 0.35
MGLL Q99685 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 2/20 0.35
TACR1 P25103 2/20 0.34
CMKLR1 Q99788 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4593912 0.92 SSTR5 (0.41) SSTR5LMNAMAPTTP53SSTR1
SCHEMBL4593723 0.92 SSTR5 (0.55) SSTR5HRH1HTR2BLMNAMAPT
SCHEMBL4594626 0.91 SSTR5 (0.40) SSTR5LMNAMAPTTP53SSTR1
SCHEMBL4594278 0.91 MAPT (0.46) SSTR5HRH1HTR2BLMNAMAPT
SCHEMBL4594255 0.91 SSTR5 (0.39) SSTR5LMNAMAPTTP53SLC6A2
SCHEMBL4594089 0.89 SSTR5 (0.39) SSTR5HRH1LMNAMAPTTP53
SCHEMBL4593756 0.89 SSTR5 (0.47) SSTR5LMNAMAPTTP53SSTR1
SCHEMBL4594337 0.88 SSTR5 (0.40) SSTR5HRH1HTR2BSSTR1SLC6A2
SCHEMBL4593460 0.86 SSTR5 (0.47) SSTR5MAPTSSTR1KCNH2TACR1
SCHEMBL4594097 0.85 SSTR5 (0.48) SSTR5SSTR1KCNH2

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