SCHEMBL6002929

SCHEMBL6002929

CCCCCC1c2ccccc2CCC1COC

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
CYP2D6 P10635 2/20 0.40
BCHE P06276 1/20 0.39
SIGMAR1 Q99720 4/20 0.39
HTR1A P08908 3/20 0.39
IDO1 P14902 2/20 0.39
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL3296184 0.83 BCHE (0.44) DRD2CYP2D6BCHESIGMAR1HTR1A
SCHEMBL5232481 0.74 PTGER2 (0.39)
SCHEMBL6758153 0.73 BCHE (0.59) DRD2BCHESIGMAR1
SCHEMBL27515867 0.72 BCHE (0.58) DRD2CYP2D6BCHESIGMAR1
SCHEMBL28989835 0.72 BCHE (0.58) DRD2CYP2D6BCHESIGMAR1
SCHEMBL28256253 0.72 BCHE (0.58) DRD2CYP2D6BCHESIGMAR1
SCHEMBL28989836 0.72 BCHE (0.58) DRD2CYP2D6BCHESIGMAR1
SCHEMBL19259383 0.72 BCHE (0.58) DRD2CYP2D6BCHESIGMAR1
SCHEMBL9571237 0.72 BCHE (0.58) DRD2CYP2D6BCHESIGMAR1
SCHEMBL9861039 0.71 MEN1 (0.43) DRD2CYP2D6BCHESIGMAR1HTR1A

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