SCHEMBL6176038

SCHEMBL6176038

CCOC(=O)c1nc(-c2ccc(OC)cc2)c(-c2ccccc2)s1.COc1ccc(-c2nc(C(=O)NC3CCCCC3)sc2-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
MAOA P21397 1/20 0.51
CNR1 P21554 1/20 0.51
DHODH Q02127 1/20 0.49
MAPT P10636 3/20 0.47
PTGS2 P35354 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
FAAH O00519 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL5909523 0.92 CNR1 (0.59) MAOBMAOACNR1MAPTPTGS2
SCHEMBL5909585 0.91 PTGS2 (0.47) MAOBMAOACNR1DHODHMAPT
SCHEMBL5909573 0.87 CNR1 (0.64) MAOBMAOACNR1MAPTPTGS2
SCHEMBL6174870 0.87 PTGS2 (0.50) MAOBMAOACNR1MAPTPTGS2
SCHEMBL5909564 0.86 PTGS2 (0.59) DHODHMAPTPTGS2ALDH1A1MEN1
SCHEMBL5519672 0.82 PTGS2 (0.64) DHODHMAPTPTGS2ALDH1A1MEN1
SCHEMBL5909554 0.79 CNR1 (0.56) MAOBMAOACNR1ALDH1A1MEN1
SCHEMBL6176217 0.79 CNR1 (0.55) CNR1
SCHEMBL9548042 0.78 ACHE (0.62) ALDH1A1HPGD
SCHEMBL26986657 0.76 PTGS2 (0.55) DHODHMAPTPTGS2ALDH1A1MEN1

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-1592403-A1 AQUEOUS DISPERSION COMPRISING STABLE NANOPARTICLES OF A WATER-INSOLUBLE THIAZOLE DERIVATIVE AND EXCIPIENTS LIKE MIDDLE CHAIN TRIGLYCERIDES AstraZeneca AB (SE) 2005-11-09 EP disclosed
EP-1581214-A1 4,5-DIARYLTHIAZOLE DERIVATIVES AS CB-1 LIGANDS Astrazeneca AB (SE) 2005-10-05 EP disclosed
WO-2004069226-A1 AQUEOUS DISPERSION COMPRISING STABLE NANOPARTICLES OF A WATER-INSOLUBLE THIAZOLE DERIVATIVE AND EXCIPIENTS LIKE MIDDLE CHAIN TRIGLYCERIDES ASTRAZENECA AB (SE) 2004-08-19 WO disclosed
WO-2004058255-A1 4, 5-DIARYLTHIAZOLE DERIVATIVES AS CB-1 LIGANDS ASTRAZENECA AB (SE) 2004-07-15 WO disclosed