SCHEMBL4594338

SCHEMBL4594338

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.39
SSTR5 P35346 1/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 6/20 0.36
L3MBTL1 Q9Y468 4/20 0.35
TACR1 P25103 4/20 0.35
KDR P35968 1/20 0.35
ALDH1A1 P00352 6/20 0.35
NPSR1 Q6W5P4 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
THRB P10828 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
GCG P01275 1/20 0.34
GCGR P47871 1/20 0.34
GIPR P48546 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
SCHEMBL4594753 0.89 MAPT (0.37) SSTR1SSTR5MEN1KMT2AMAPT
SCHEMBL4593639 0.89 SSTR5 (0.39) SSTR1SSTR5MEN1KMT2ATACR1
SCHEMBL4594236 0.84 SSTR5 (0.37) SSTR1SSTR5TACR1KDR
SCHEMBL4593460 0.83 SSTR5 (0.47) SSTR1SSTR5MAPTTACR1KDR
SCHEMBL4594219 0.83 SSTR5 (0.36) SSTR1SSTR5MAPTL3MBTL1TACR1
SCHEMBL4593292 0.83 SSTR5 (0.39) SSTR1SSTR5KDR
SCHEMBL4593872 0.82 SSTR5 (0.54) SSTR1SSTR5MAPTL3MBTL1TACR1
SCHEMBL4594382 0.82 SSTR5 (0.40) SSTR1SSTR5MAPTTACR1ALDH1A1
SCHEMBL4593537 0.82 SSTR5 (0.40) SSTR1SSTR5TACR1KDR
SCHEMBL4594820 0.82 SSTR5 (0.39) SSTR5L3MBTL1TACR1TDP1POLB

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-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