SCHEMBL4594626

SCHEMBL4594626

CCOc1cc(CN(c2nc3ccc(C(=O)OC)cc3o2)C2CCNCC2)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 5/20 0.40
LMNA P02545 1/20 0.38
MAPT P10636 3/20 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 2/20 0.35
CMKLR1 Q99788 1/20 0.34
POLB P06746 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KMT2A Q03164 1/20 0.34
SSTR1 P30872 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4594255 0.92 SSTR5 (0.39) SSTR5LMNAMAPTTP53SLC6A2
SCHEMBL4594278 0.92 MAPT (0.46) SSTR5LMNAMAPTTP53HDAC6
SCHEMBL4593649 0.92 SSTR5 (0.46) SSTR5LMNAMAPTTP53SLC6A2
SCHEMBL4593368 0.91 SSTR5 (0.48) SSTR5LMNAMAPTTP53SLC6A2
SCHEMBL4594089 0.90 SSTR5 (0.39) SSTR5LMNAMAPTTP53KCNH2
SCHEMBL4593756 0.90 SSTR5 (0.47) SSTR5LMNAMAPTTP53KCNH2
SCHEMBL4593912 0.90 SSTR5 (0.41) SSTR5LMNAMAPTTP53KCNH2
SCHEMBL4594414 0.88 SSTR5 (0.37) SSTR5LMNASLC6A2SLC6A4SLC6A3
SCHEMBL4594097 0.86 SSTR5 (0.48) SSTR5KCNH2SSTR1
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