SCHEMBL4866640

SCHEMBL4866640

CCOc1cc(CN(c2nc3cccc(C(=O)O)c3o2)C2CCNCC2)ccc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
REN P00797 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
THRB P10828 1/20 0.38
TP53 P04637 1/20 0.38
MC4R P32245 1/20 0.38
MC5R P33032 1/20 0.38
MC3R P41968 1/20 0.38
APEX1 P27695 1/20 0.38
SSTR5 P35346 2/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A2 P23975 2/20 0.37

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
SCHEMBL5492474 0.93 POLB (0.42) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL5498410 0.91 SLC6A2 (0.38) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL5485960 0.90 SSTR5 (0.38) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL5483266 0.90 MAPT (0.46) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL5478920 0.89 LMNA (0.40) MAPTLMNARENMEN1KMT2A
SCHEMBL4593502 0.89 REN (0.39) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL5483270 0.88 KMT2A (0.44) LMNAALDH1A1SMN1; SMN2RENMEN1
SCHEMBL4594116 0.87 MAPT (0.41) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL5485921 0.87 PDE10A (0.36) RAB9ALMNASMN1; SMN2MEN1KMT2A
SCHEMBL4593591 0.87 REN (0.43) MAPTLMNAALDH1A1RENMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008532963-A 2008-08-21 JP claimed
EP-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP claimed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO claimed
EP-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP disclosed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed