SCHEMBL5485744

SCHEMBL5485744

CCOc1cc(CN(c2nc3cc(NC(=O)CC)ccc3o2)C2CCNCC2)ccc1OC.O=C(O)C1CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 5/20 0.49
HRH1 P35367 2/20 0.49
SSTR1 P30872 1/20 0.49
KDR P35968 4/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
USP2 O75604 2/20 0.40
LMNA P02545 2/20 0.40
THRB P10828 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 4/20 0.37
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
HDAC6 Q9UBN7 1/20 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
SCHEMBL5484863 0.88 SSTR5 (0.57) SSTR5HRH1SSTR1KDRKDM4E
SCHEMBL1381181 0.83 SSTR5 (0.49) SSTR5HRH1SSTR1KDM4EALDH1A1
SCHEMBL5485903 0.81 HDAC6 (0.46) SSTR5HRH1SSTR1LMNATHRB
SCHEMBL5485748 0.81 SSTR5 (0.41) SSTR5HRH1SSTR1LMNATHRB
SCHEMBL4594763 0.81 SSTR5 (0.41) SSTR5HRH1SSTR1HDAC6REN
SCHEMBL4594185 0.80 SSTR5 (0.42) SSTR5HRH1SSTR1KDM4EALDH1A1
SCHEMBL4593310 0.79 REN (0.41) SSTR5HRH1SSTR1HDAC6PPARG
SCHEMBL4593246 0.79 SSTR5 (0.41) SSTR5HRH1SSTR1HPGDSMN1; SMN2
SCHEMBL4594457 0.79 SSTR5 (0.39) SSTR5HRH1SSTR1ALDH1A1SMN1; SMN2
SCHEMBL4594636 0.78 MAPT (0.46) SSTR5SSTR1RAB9ALMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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