SCHEMBL5011868

SCHEMBL5011868

Cc1ccc(CN2CCN(c3cc(O)c4ncsc4c3)CC2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.41
DRD2 P14416 5/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
DRD3 P35462 3/20 0.39
FAAH O00519 1/20 0.39
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 2/20 0.36
GAA P10253 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA2C P18825 1/20 0.35
HTR2A P28223 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5011858 0.88 DRD4 (0.44) DRD4DRD2LMNADRD3FAAH
SCHEMBL5016084 0.84 ALDH1A1 (0.50) DRD4DRD2LMNAHTTDRD3
SCHEMBL2098329 0.83 TP53 (0.38) LMNAHTTTP53SMN1; SMN2HTR1A
SCHEMBL27644612 0.78 DRD4 (0.41) DRD4DRD2LMNAHTTDRD3
SCHEMBL5016098 0.74 PIK3C2B (0.46) DRD4DRD2LMNAHTTDRD3
SCHEMBL5536329 0.73 DRD4 (0.61) DRD4DRD2LMNAHTTDRD3
SCHEMBL2098328 0.71 TP53 (0.38) LMNAHTTTP53SMN1; SMN2HTR1A
SCHEMBL5016096 0.70 ALDH1A1 (0.43) DRD4DRD2LMNAHTTDRD3
SCHEMBL27666181 0.69 ALDH1A1 (0.48) DRD4DRD2LMNADRD3POLB
SCHEMBL5536324 0.68 DRD4 (0.57) DRD4DRD2DRD3FAAHPPARD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed