SCHEMBL4594675

SCHEMBL4594675

CCOc1cc(CN(c2nc3ccc(C(=O)O)cc3o2)C2CCNCC2)cc(OCC)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 6/20 0.47
SSTR1 P30872 2/20 0.46
KCNH2 Q12809 2/20 0.39
MAPT P10636 4/20 0.37
TP53 P04637 3/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TTR P02766 1/20 0.36
ALB P02768 1/20 0.36
MAOA P21397 1/20 0.36
CNR1 P21554 1/20 0.36
DRD1 P21728 1/20 0.36
OPRD1 P41143 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3A Q14432 1/20 0.36
LMNA P02545 1/20 0.34
TACR1 P25103 2/20 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
SCHEMBL4593872 0.93 SSTR5 (0.54) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL4593723 0.92 SSTR5 (0.55) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL4593912 0.92 SSTR5 (0.41) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL4594277 0.92 SSTR5 (0.45) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL4594604 0.92 SSTR5 (0.54) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL4593649 0.89 SSTR5 (0.46) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL1121565 0.89 SSTR5 (0.45) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL4594636 0.89 MAPT (0.46) SSTR5SSTR1KCNH2MAPTTP53
SCHEMBL4594370 0.87 SSTR5 (0.54) SSTR5SSTR1KCNH2
SCHEMBL4593460 0.85 SSTR5 (0.47) SSTR5SSTR1KCNH2MAPTNPC1

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