SCHEMBL4594329

SCHEMBL4594329

CCOc1cc(CN(c2nc3cc(OCC(N)=O)ccc3o2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.42
KCNH2 Q12809 2/20 0.42
TACR1 P25103 4/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
HTR2A P28223 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL4594820 0.93 SSTR5 (0.39) SSTR5KCNH2TACR1POLBHTR2A
SCHEMBL4593639 0.92 SSTR5 (0.39) SSTR5KCNH2TACR1ALDH1A1KDM4E
SCHEMBL4594382 0.92 SSTR5 (0.40) SSTR5KCNH2TACR1ALDH1A1KDM4E
SCHEMBL4594815 0.91 NPC1 (0.40) SSTR5KCNH2TACR1NPC1POLB
SCHEMBL4593907 0.88 SSTR5 (0.37) SSTR5KCNH2ALDH1A1KDM4EHPGD
SCHEMBL1380236 0.88 SSTR5 (0.54) SSTR5KCNH2MAPK1NPC1RAB9A
SCHEMBL4594609 0.88 SSTR5 (0.38) SSTR5KCNH2PTGDR2
SCHEMBL4593823 0.87 SSTR5 (0.37) SSTR5KCNH2HTR2ASLC6A2SLC6A4
SCHEMBL4593573 0.86 SSTR5 (0.39) SSTR5KCNH2
SCHEMBL4594894 0.86 SSTR5 (0.38) SSTR5KCNH2SLC6A2SLC6A4SLC6A3

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