SCHEMBL6002603

SCHEMBL6002603

CCN(CC)COc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
TAAR1 Q96RJ0 1/20 0.46
KCNA3 P22001 1/20 0.46
POLB P06746 1/20 0.46
BCHE P06276 1/20 0.46
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA7 P36544 2/20 0.44
CHRNA4 P43681 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5540742 0.85 POLB (0.47) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12610941 0.78 CYP2D6 (0.74) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1405290 0.78 CYP2D6 (0.74) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3073593 0.78 LTA4H (0.45) LTA4HTAAR1KCNA3POLBCHRNB2
SCHEMBL11522619 0.78 EBP (0.36) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10665272 0.78 MMP1 (0.51) CHRNA7
SCHEMBL6676718 0.77 LTA4H (0.62) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL10505479 0.77 CYP2D6 (0.72) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
Bromide SCHEMBL1173547 0.77 CYP2D6 (0.72) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL14549600 0.77 CYP3A4 (0.65) POLBBCHE

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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
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