SCHEMBL4593756

SCHEMBL4593756

CCOc1cc(CN(c2nc3ccc(C(=O)OC)cc3o2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 8/20 0.47
KCNH2 Q12809 2/20 0.40
MAPT P10636 5/20 0.38
TP53 P04637 2/20 0.38
SSTR1 P30872 1/20 0.37
LMNA P02545 2/20 0.37
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
CREBBP Q92793 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ATM Q13315 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
SCHEMBL4594514 0.94 SSTR5 (0.46) SSTR5KCNH2MAPTSSTR1ALOX5AP
SCHEMBL4594089 0.92 SSTR5 (0.39) SSTR5KCNH2MAPTTP53SSTR1
SCHEMBL4593912 0.92 SSTR5 (0.41) SSTR5KCNH2MAPTTP53SSTR1
SCHEMBL4594604 0.92 SSTR5 (0.54) SSTR5KCNH2MAPTTP53SSTR1
SCHEMBL4594097 0.91 SSTR5 (0.48) SSTR5KCNH2SSTR1CTSLCTSS
SCHEMBL4594255 0.90 SSTR5 (0.39) SSTR5KCNH2MAPTTP53LMNA
SCHEMBL4594278 0.90 MAPT (0.46) SSTR5MAPTTP53LMNAKDM4E
SCHEMBL4594626 0.90 SSTR5 (0.40) SSTR5KCNH2MAPTTP53SSTR1
SCHEMBL4593368 0.89 SSTR5 (0.48) SSTR5KCNH2MAPTTP53SSTR1
SCHEMBL4593433 0.87 SSTR5 (0.37) SSTR5KCNH2ALOX5APFEN1ALDH1A1

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