SCHEMBL9826063

SCHEMBL9826063

ClCCCCNCCCCOc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.71
DRD4 P21917 16/20 0.71
DRD3 P35462 12/20 0.71
KCNA3 P22001 1/20 0.61
HTR1B P28222 1/20 0.53
GAA P10253 1/20 0.53
LTA4H P09960 1/20 0.51

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
SCHEMBL11895289 0.92 DRD2 (0.83) DRD2DRD4DRD3KCNA3HTR1B
SCHEMBL11894925 0.90 DRD2 (0.80) DRD2DRD4DRD3KCNA3HTR1B
SCHEMBL4329339 0.88 KCNA3 (0.80) DRD2DRD4DRD3KCNA3HTR1B
SCHEMBL8767116 0.86 KCNA3 (0.76) DRD2DRD4DRD3KCNA3HTR1B
SCHEMBL20530581 0.86 KCNA3 (0.76) DRD2DRD4DRD3KCNA3HTR1B
SCHEMBL10476759 0.86 DRD4 (0.95) DRD2DRD4DRD3KCNA3HTR1B
SCHEMBL7391903 0.86 KCNA3 (0.76) DRD2DRD4DRD3KCNA3HTR1B
Hydrochloric Acid SCHEMBL8054973 0.84 DRD4 (0.91) DRD2DRD4DRD3KCNA3HTR1B
SCHEMBL11896615 0.84 DRD4 (1.00) DRD2DRD4DRD3KCNA3HTR1B
SCHEMBL1035432 0.83 DRD2 (0.69) DRD2DRD4DRD3KCNA3HTR1B

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-0243842-B1 ARYLOXYCARBAMOYL AZOLES AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1991-01-30 EP disclosed