SCHEMBL10554386

SCHEMBL10554386

O=C(c1ccccc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1C(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.60
HTR2A P28223 7/20 0.60
ADRA1A P35348 7/20 0.60
HRH1 P35367 7/20 0.60
DRD3 P35462 7/20 0.60
OPRK1 P41145 6/20 0.60
OPRM1 P35372 6/20 0.60
HTR6 P50406 6/20 0.60
CACNA1C Q13936 6/20 0.60
OPRD1 P41143 5/20 0.60
CACNA1F O60840 5/20 0.60
DRD4 P21917 5/20 0.60
HRH2 P25021 5/20 0.60
CACNA1D Q01668 5/20 0.60
CACNA1S Q13698 5/20 0.60
DRD5 P21918 4/20 0.60
ADRA1D P25100 4/20 0.60
HTR7 P34969 4/20 0.60
ADRA1B P35368 4/20 0.60
HTR2C P28335 4/20 0.60

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
Hydrochloric Acid SCHEMBL10557900 0.99 SLC6A3 (0.59) SLC6A3HTR2AADRA1AHRH1DRD3
SCHEMBL10555143 0.84 SLC6A3 (0.57) SLC6A3HTR2AADRA1AHRH1DRD3
SCHEMBL4750789 0.80 SLC6A3 (0.64) SLC6A3HTR2AADRA1AHRH1DRD3
SCHEMBL4750989 0.80 SLC6A3 (0.73) SLC6A3HTR2AADRA1AHRH1DRD3
SCHEMBL10555305 0.80 SLC6A3 (0.58) SLC6A3HTR2AADRA1AHRH1DRD3
Hydrochloric Acid SCHEMBL10810457 0.79 MEN1 (0.72) SLC6A3HTR2AADRA1AHRH1DRD3
SCHEMBL10415360 0.79 DRD3 (0.49) SLC6A3HTR2AADRA1AHRH1DRD3
SCHEMBL10362364 0.78 HTR2A (0.61) SLC6A3HTR2AADRA1AHRH1DRD3
Hydrochloric Acid SCHEMBL9778503 0.78 DRD3 (0.48) SLC6A3HTR2AADRA1AHRH1DRD3
SCHEMBL10556167 0.78 CYP3A4 (0.83) SLC6A3HTR2AADRA1AHRH1DRD3

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
US-4801706-A ANTIARRHYTHMIA HYPOTENSIVE AMERICAN HOME PRODUCTS CORPORATION (US) 1989-01-31 US claimed
US-4801706-A ANTIARRHYTHMIA HYPOTENSIVE AMERICAN HOME PRODUCTS CORPORATION (US) 1989-01-31 US disclosed