SCHEMBL5016085

SCHEMBL5016085

[O]c1ccc(N2CCN(Cc3ccccc3OC(F)(F)F)CC2)c2ncsc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.44
CNR1 P21554 1/20 0.43
SCN9A Q15858 1/20 0.42
TRPC5 Q9UL62 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
DCPS Q96C86 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GPR6 P46095 1/20 0.37

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
SCHEMBL2095863 0.85 EPHX2 (0.38) EPHX2TRPC5DCPS
SCHEMBL27644679 0.83 DRD2 (0.47) EPHX2CNR1SCN9ATRPC5KMT2A
SCHEMBL2094217 0.79 PDE3B (0.44) EPHX2SCN9A
SCHEMBL5016238 0.77 DRD2 (0.41) EPHX2CNR1TRPC5KMT2AMEN1
SCHEMBL5013289 0.75 KDM4E (0.48) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL5543219 0.72 KMT2A (0.47) EPHX2CNR1SCN9ATRPC5KMT2A
SCHEMBL5015053 0.69 SIGMAR1 (0.49) KMT2AMEN1DRD2
SCHEMBL2095321 0.68 SLC6A3 (0.49) EPHX2CNR1TRPC5DRD2DCPS
SCHEMBL24093239 0.68 DRD2 (0.60) EPHX2KMT2AMEN1DRD2DCPS
SCHEMBL2429800 0.68 EPHX2 (0.52) EPHX2CNR1SCN9ATRPC5DRD4

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