SCHEMBL4594415

SCHEMBL4594415

CCOc1cc(CN(c2nc3ccnc(CO)c3o2)C2CCNCC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.35
HRH1 P35367 1/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
DHFR P00374 1/20 0.33
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADRA2A P08913 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CHRM1 P11229 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
DRD1 P21728 1/20 0.30
TBXA2R P21731 1/20 0.30

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
SCHEMBL4594234 0.88 SLC6A2 (0.35) SSTR5SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL4593333 0.88 SLC6A2 (0.35) SSTR5SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL4594505 0.84 SSTR5 (0.38) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4594237 0.83 SSTR5 (0.36) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4593365 0.83 SSTR5 (0.36) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4593843 0.79 SSTR5 (0.43) SSTR5HRH1KCNH2
SCHEMBL4594138 0.79 SSTR5 (0.44) SSTR5HRH1LMNAMAPTKCNH2
SCHEMBL4593393 0.79 SSTR5 (0.42) SSTR5HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4594303 0.79 SLC6A2 (0.37) SSTR5SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL5488609 0.79 SSTR5 (0.41) SSTR5HRH1SLC6A2SLC6A4SLC6A3

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