SCHEMBL4594255

SCHEMBL4594255

CCOc1cc(CN(c2nc3ccc(C(=O)OC)cc3o2)C2CCNCC2)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 5/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 6/20 0.38
TP53 P04637 2/20 0.38
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 1/20 0.35
KIFC1 Q9BW19 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4594626 0.92 SSTR5 (0.40) SSTR5LMNAMAPTTP53SLC6A2
SCHEMBL4594278 0.92 MAPT (0.46) SSTR5LMNAMAPTTP53KDM4E
SCHEMBL1121565 0.92 SSTR5 (0.45) SSTR5LMNAMAPTTP53SLC6A2
SCHEMBL4593368 0.91 SSTR5 (0.48) SSTR5LMNAMAPTTP53SLC6A2
SCHEMBL4593756 0.90 SSTR5 (0.47) SSTR5LMNAMAPTTP53KCNH2
SCHEMBL4594089 0.90 SSTR5 (0.39) SSTR5LMNAMAPTTP53KCNH2
SCHEMBL4593912 0.90 SSTR5 (0.41) SSTR5LMNAMAPTTP53KCNH2
SCHEMBL4594469 0.88 SSTR5 (0.36) SSTR5LMNASLC6A2SLC6A4SLC6A3
SCHEMBL4594097 0.86 SSTR5 (0.48) SSTR5KCNH2
SCHEMBL4594636 0.85 MAPT (0.46) SSTR5LMNAMAPTTP53KCNH2

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