SCHEMBL6003168

SCHEMBL6003168

[CH2]OC1CCCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.68
GPR84 Q9NQS5 1/20 0.45
SLC6A4 P31645 1/20 0.44
GID4 Q8IVV7 1/20 0.42
ADRA2A P08913 2/20 0.41
ADRA1A P35348 2/20 0.41
LMNA P02545 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR1A P08908 1/20 0.41
OPRM1 P35372 1/20 0.41
HTT P42858 1/20 0.41
CYP2D6 P10635 1/20 0.41
FFAR1 O14842 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
SCHEMBL447419 0.88 IDO1 (0.66) IDO1GPR84
SCHEMBL15330041 0.84 IDO1 (0.72) IDO1GPR84SLC6A4GID4ADRA2A
SCHEMBL180403 0.84 IDO1 (0.72) IDO1GPR84SLC6A4GID4ADRA2A
SCHEMBL4209937 0.81 IDO1 (0.64) IDO1GPR84SLC6A4GID4ADRA2A
SCHEMBL17115833 0.81 IDO1 (0.68) IDO1GPR84SLC6A4GID4ADRA2A
SCHEMBL7710711 0.81 IDO1 (0.68) IDO1GPR84SLC6A4GID4ADRA2A
SCHEMBL2472307 0.81 IDO1 (0.68) IDO1GPR84SLC6A4GID4HTT
SCHEMBL12727345 0.81 IDO1 (0.68) IDO1GPR84SLC6A4GID4HTT
SCHEMBL31235704 0.81 IDO1 (0.68) IDO1GPR84SLC6A4GID4HTT
SCHEMBL31251494 0.81 IDO1 (0.68) IDO1GPR84SLC6A4GID4HTT

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