SCHEMBL4594459

SCHEMBL4594459

CCOc1cc(CN(c2nc3cc(OCC#N)ccc3o2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 6/20 0.35
KCNH2 Q12809 2/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
IRAK4 Q9NWZ3 1/20 0.33
SLC2A1 P11166 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALDH2 P05091 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
IKBKB O14920 1/20 0.32
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
HRH1 P35367 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
SCHEMBL4594219 0.92 SSTR5 (0.36) SSTR5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4593947 0.91 SSTR5 (0.35) SSTR5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4594518 0.88 SLC6A2 (0.38) SSTR5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4593907 0.88 SSTR5 (0.37) SSTR5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4593823 0.87 SSTR5 (0.37) SSTR5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4594820 0.86 SSTR5 (0.39) SSTR5KCNH2L3MBTL1
SCHEMBL4594329 0.86 SSTR5 (0.42) SSTR5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4594894 0.85 SSTR5 (0.38) SSTR5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4594382 0.85 SSTR5 (0.40) SSTR5KCNH2KDM4EALDH1A1HPGD
SCHEMBL4594609 0.84 SSTR5 (0.38) SSTR5KCNH2

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