SCHEMBL8329958

SCHEMBL8329958

N[C@@H]1C[C@H]2COC[C@@H](C1)N2Cc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.41
DRD2 P14416 4/20 0.41
DRD3 P35462 3/20 0.41
OPRK1 P41145 1/20 0.40
SLC6A2 P23975 1/20 0.39
LTA4H P09960 1/20 0.38
MAPT P10636 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2B P18089 1/20 0.36
SLC6A4 P31645 1/20 0.36
CCR1 P32246 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL7495709 1.00 DRD4 (0.41) DRD4DRD2DRD3OPRK1SLC6A2
SCHEMBL7491794 1.00 DRD4 (0.41) DRD4DRD2DRD3OPRK1SLC6A2
SCHEMBL9413099 0.86 DRD4 (0.47) DRD4DRD2DRD3LTA4HMAPT
SCHEMBL9413102 0.86 DRD4 (0.47) DRD4DRD2DRD3LTA4HMAPT
SCHEMBL3880873 0.85 DRD2 (0.51) DRD4DRD2DRD3OPRK1SLC6A2
SCHEMBL3880869 0.85 DRD2 (0.51) DRD4DRD2DRD3OPRK1SLC6A2
SCHEMBL30833222 0.85 DRD2 (0.51) DRD4DRD2DRD3OPRK1SLC6A2
SCHEMBL11222946 0.84 MEN1 (0.48) DRD4OPRK1MAPTADRA2BSLC6A4
SCHEMBL6632358 0.84 CHRM2 (0.53) DRD4DRD2DRD3OPRK1SLC6A2
SCHEMBL8717571 0.84 CHRM2 (0.53) DRD4DRD2DRD3OPRK1SLC6A2

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-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed