SCHEMBL10558316

SCHEMBL10558316

Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 9/20 0.80
DRD3 P35462 9/20 0.80
HTR2A P28223 8/20 0.80
HRH1 P35367 8/20 0.80
SLC6A3 Q01959 8/20 0.80
OPRK1 P41145 7/20 0.80
ADORA3 P0DMS8 7/20 0.80
OPRD1 P41143 6/20 0.80
DRD2 P14416 6/20 0.80
CYP3A4 P08684 5/20 0.80
CYP2D6 P10635 5/20 0.80
KCNH2 Q12809 5/20 0.80
MEN1 O00255 4/20 0.80
KMT2A Q03164 4/20 0.80
SLC29A1 Q99808 4/20 0.80
LMNA P02545 4/20 0.80
ADRB1 P08588 4/20 0.80
ADRA2B P18089 4/20 0.80
ADRA2C P18825 4/20 0.80
HTR2B P41595 4/20 0.80

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
Lidoflazine SCHEMBL79037 0.89 ADRA1A (1.00) ADRA1ADRD3HTR2AHRH1SLC6A3
SCHEMBL10554577 0.87 HTR2A (0.71) ADRA1ADRD3HTR2AHRH1SLC6A3
SCHEMBL79038 0.83 MEN1 (0.88) ADRA1ADRD3HTR2AHRH1SLC6A3
SCHEMBL10683725 0.79 ADRA1A (0.76) ADRA1ADRD3HTR2AHRH1SLC6A3
Lidoflazine SCHEMBL28086565 0.79 ADRA1A (0.71) ADRA1ADRD3HTR2AHRH1SLC6A3
SCHEMBL10676648 0.78 ADRA1A (0.73) ADRA1ADRD3HTR2AHRH1SLC6A3
Hydrochloric Acid SCHEMBL10675752 0.76 ADRA1A (0.71) ADRA1ADRD3HTR2AHRH1SLC6A3
SCHEMBL10676097 0.76 ADRA1A (0.70) ADRA1ADRD3HTR2AHRH1SLC6A3
SCHEMBL10559545 0.75 CYP3A4 (0.58) ADRA1ADRD3HTR2AHRH1SLC6A3
Cadaverine Tartrate SCHEMBL10675929 0.74 ADRA1A (0.68) ADRA1ADRD3HTR2AHRH1SLC6A3

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