SCHEMBL4593872

SCHEMBL4593872

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 6/20 0.54
SSTR1 P30872 2/20 0.54
KCNH2 Q12809 2/20 0.38
HDAC6 Q9UBN7 3/20 0.37
HPSE Q9Y251 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TACR1 P25103 2/20 0.34
CSNK2A1 P68400 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MBOAT4 Q96T53 1/20 0.33
CNR2 P34972 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
SCHEMBL4594675 0.93 SSTR5 (0.47) SSTR5SSTR1KCNH2NPC1RAB9A
SCHEMBL4593460 0.92 SSTR5 (0.47) SSTR5SSTR1KCNH2HDAC6NPC1
SCHEMBL4593544 0.92 SSTR5 (0.46) SSTR5SSTR1KCNH2HDAC6HPSE
SCHEMBL4594138 0.88 SSTR5 (0.44) SSTR5SSTR1KCNH2HDAC6HPSE
SCHEMBL4593537 0.88 SSTR5 (0.40) SSTR5SSTR1KCNH2TACR1PTGDR2
SCHEMBL4595027 0.87 SSTR5 (0.47) SSTR5SSTR1KCNH2
SCHEMBL4593639 0.85 SSTR5 (0.39) SSTR5SSTR1KCNH2TACR1
SCHEMBL4593912 0.85 SSTR5 (0.41) SSTR5SSTR1KCNH2NPC1RAB9A
SCHEMBL4593723 0.85 SSTR5 (0.55) SSTR5SSTR1KCNH2NPC1RAB9A
SCHEMBL4594277 0.85 SSTR5 (0.45) SSTR5SSTR1KCNH2NPC1RAB9A

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