SCHEMBL6001345

SCHEMBL6001345

C=C(C)[CH]c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
KDM4E B2RXH2 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
CHAT P28329 3/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PTK2B Q14289 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RXRA P19793 1/20 0.41
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL3682568 0.81 HDAC8 (0.56) MTNR1AMTNR1BKDM4EPTGS1PTGS2
SCHEMBL3245346 0.80 MTNR1A (0.57) MTNR1AMTNR1BKDM4EPTGS1PTGS2
SCHEMBL28312715 0.78 MTNR1A (0.56) MTNR1AMTNR1BKDM4EPTGS1PTGS2
SCHEMBL19143055 0.77 KDM4E (0.53) MTNR1AMTNR1BKDM4EPTGS1PTGS2
SCHEMBL5200150 0.77 PTK2B (0.44) MTNR1AMTNR1BKDM4EPTGS1PTGS2
SCHEMBL6001348 0.76 KDM4E (0.51) MTNR1AMTNR1BKDM4EPTGS1PTGS2
Methyl Alcohol SCHEMBL1324478 0.75 MTNR1A (0.47) MTNR1AMTNR1BKDM4EPTGS1PTGS2
SCHEMBL6027912 0.75 KDM4E (0.54) MTNR1AMTNR1BKDM4EPTGS1PTGS2
SCHEMBL28257775 0.73 KDM4E (0.57) MTNR1AMTNR1BKDM4EPTGS1PTGS2
SCHEMBL5651919 0.73 NR4A1 (0.55) MTNR1AMTNR1BKDM4EGRIN2DGRIN3B

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