SCHEMBL4593460

SCHEMBL4593460

CCOc1cc(CN(c2nc3cc(C(=O)OC)ccc3o2)C2CCNCC2)cc(OCC)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 5/20 0.47
SSTR1 P30872 1/20 0.47
CMKLR1 Q99788 1/20 0.39
KCNH2 Q12809 1/20 0.38
HDAC6 Q9UBN7 3/20 0.38
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
CREBBP Q92793 1/20 0.33
KDR P35968 1/20 0.33
CMA1 P23946 1/20 0.33
TACR1 P25103 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
SCHEMBL4593912 0.94 SSTR5 (0.41) SSTR5SSTR1CMKLR1KCNH2MAPT
SCHEMBL4594514 0.92 SSTR5 (0.46) SSTR5SSTR1CMKLR1KCNH2HDAC6
SCHEMBL4593872 0.92 SSTR5 (0.54) SSTR5SSTR1KCNH2HDAC6MAPT
SCHEMBL4593843 0.88 SSTR5 (0.43) SSTR5SSTR1CMKLR1KCNH2HDAC6
SCHEMBL4594383 0.88 SSTR5 (0.42) SSTR5SSTR1CMKLR1KCNH2MAPT
SCHEMBL4593537 0.87 SSTR5 (0.40) SSTR5SSTR1KCNH2KDRTACR1
SCHEMBL4593368 0.86 SSTR5 (0.48) SSTR5SSTR1CMKLR1KCNH2MAPT
SCHEMBL4593756 0.85 SSTR5 (0.47) SSTR5SSTR1CMKLR1KCNH2MAPT
SCHEMBL4594089 0.85 SSTR5 (0.39) SSTR5SSTR1CMKLR1KCNH2MAPT
SCHEMBL4594675 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