SCHEMBL5013349

SCHEMBL5013349

[O]c1c(N2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)ccc2scnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.46
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.45
DRD1 P21728 2/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.40
GNRHR P30968 1/20 0.40
STAT3 P40763 1/20 0.40
CHRM3 P20309 1/20 0.40
GPR6 P46095 1/20 0.39
CHRM4 P08173 3/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2090670 0.85 KCNN4 (0.43) KCNN4CHRM4
SCHEMBL2094030 0.80 SCN9A (0.42) KCNN4
SCHEMBL5013395 0.76 MEN1 (0.47) DRD2DRD4KDM4EALDH1A1DRD3
SCHEMBL5016238 0.76 DRD2 (0.41) DRD2DRD4KDM4EALDH1A1DRD3
SCHEMBL5016095 0.75 ALDH1A1 (0.43) DRD2DRD4KDM4EALDH1A1GAA
SCHEMBL5536602 0.73 DRD2 (0.54) DRD2DRD4DRD1KDM4EALDH1A1
SCHEMBL27665953 0.73 KDM4E (0.52) KCNN4DRD2DRD4KDM4EALDH1A1
SCHEMBL5013364 0.72 TSHR (0.50) DRD2DRD4ALDH1A1DRD3GPR6
SCHEMBL27644470 0.71 DRD2 (0.43) DRD2DRD4KDM4EALDH1A1GAA
SCHEMBL5013426 0.70 RBP4 (0.40) KCNN4DRD2DRD4KDM4EALDH1A1

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