SCHEMBL5011858

SCHEMBL5011858

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.44
DRD2 P14416 6/20 0.44
DRD3 P35462 2/20 0.42
FAAH O00519 1/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
POLB P06746 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DYRK2 Q92630 2/20 0.36
HTR1A P08908 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR2A P28223 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PARP1 P09874 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
SCHEMBL5011868 0.88 DRD4 (0.41) DRD4DRD2DRD3FAAHPPARD
SCHEMBL2098328 0.83 TP53 (0.38) SMN1; SMN2DYRK2HTR1AMAPTLMNA
SCHEMBL27644612 0.79 DRD4 (0.41) DRD4DRD2DRD3FAAHPOLB
SCHEMBL5015139 0.79 PPARD (0.43) DRD4DRD2DRD3PPARDPPARA
SCHEMBL5016097 0.75 KDM4E (0.44) DRD4DRD2DRD3POLBMAPT
SCHEMBL5536324 0.74 DRD4 (0.57) DRD4DRD2DRD3FAAHPPARD
SCHEMBL5016084 0.72 ALDH1A1 (0.50) DRD4DRD2DRD3SMN1; SMN2MAPT
SCHEMBL2098329 0.71 TP53 (0.38) SMN1; SMN2HTR1AMAPTLMNATP53
SCHEMBL5016095 0.70 ALDH1A1 (0.43) DRD4DRD2DRD3POLBMAPT
SCHEMBL27666181 0.70 ALDH1A1 (0.48) DRD4DRD2DRD3POLBDYRK2

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