SCHEMBL6003173

SCHEMBL6003173

COc1cccc(-c2ncc[nH]2)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
MC4R P32245 2/20 0.46
SMPD3 Q9NY59 1/20 0.46
ADRA1A P35348 3/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1B P35368 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 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
SCHEMBL3403152 0.85 ADRA1A (0.54) GAAMC4RSMPD3ADRA1ATUBB4A
SCHEMBL29360270 0.85 ADRA1A (0.54) GAAMC4RSMPD3ADRA1ATUBB4A
SCHEMBL24026507 0.84 ADRA1A (0.43) MC4RSMPD3ADRA1AADRA2AADRA2C
SCHEMBL3923733 0.84 MC4R (0.46) MC4RSMPD3ADRA1AADRA2AADRA2C
SCHEMBL31429595 0.83 SMPD3 (0.56) GAAMC4RSMPD3ADRA1AADRA2A
SCHEMBL20150086 0.80 TAAR1 (0.46) MC4RSMPD3ADRA1AADRA2AADRA2C
SCHEMBL20230883 0.80 ALDH1A1 (0.39) MC4RSMPD3ADRA1AADRA2AADRA2C
SCHEMBL24026441 0.80 HTR1A (0.47) MC4RSMPD3ADRA1AADRA2AADRA2C
Oxalic Acid SCHEMBL31679096 0.77 CSNK1A1 (0.52) SMPD3ADRA1AADRA2AADRA2CALDH1A1
SCHEMBL21375828 0.76 ADRA2A (0.39) MC4RSMPD3ADRA1AADRA2AADRA2C

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-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed