SCHEMBL4593898

SCHEMBL4593898

CCOc1cc(CN(c2nc3cc(C(=O)O)ccc3s2)C2CCNCC2)cc(OCC)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.45
SSTR1 P30872 1/20 0.45
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SLC2A1 P11166 1/20 0.36
TP53 P04637 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TACR1 P25103 2/20 0.34
CSNK2A1 P68400 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
SCHEMBL4594269 0.93 SSTR5 (0.43) SSTR5SSTR1NPC1RAB9ASMN1; SMN2
SCHEMBL4594394 0.92 SSTR1 (0.39) SSTR5SSTR1NPC1RAB9ASMN1; SMN2
SCHEMBL4593554 0.88 SSTR5 (0.36) SSTR5SSTR1NPC1RAB9ASMN1; SMN2
SCHEMBL4594371 0.87 SSTR5 (0.46) SSTR5SSTR1
SCHEMBL4593662 0.85 NPC1 (0.42) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL4593609 0.85 SSTR5 (0.45) SSTR5SSTR1NPC1RAB9ASMN1; SMN2
SCHEMBL4593872 0.82 SSTR5 (0.54) SSTR5SSTR1NPC1RAB9AMAPT
SCHEMBL4593978 0.82 MAPT (0.39) SSTR5SSTR1NPC1RAB9ASMN1; SMN2
SCHEMBL4594515 0.81 NPC1 (0.39) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL4594733 0.81 TP53 (0.34) SSTR5SSTR1LMNAMAPTSLC2A1

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