SCHEMBL4689852

SCHEMBL4689852

Cc1ccc(CCn2c3c(c4c(C)c(C)ccc42)CNCC3)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.48
HTR6 P50406 5/20 0.48
ADRA2A P08913 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR7 P34969 2/20 0.48
ADRA1A P35348 2/20 0.48
GRIN2B Q13224 2/20 0.48
BCHE P06276 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
ACHE P22303 1/20 0.48
HRH2 P25021 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1E P28566 1/20 0.48
ADRA1B P35368 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2B P41595 1/20 0.48

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 SCHEMBL4123596 0.99 HRH1 (0.48) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL3714047 0.86 HRH1 (0.44) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL3625976 0.82 KDM4E (0.69) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL168938 0.81 HRH1 (0.70) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL3714001 0.81 KDM4E (0.46) HRH1HTR6ADRA2AHTR2AHTR2C
Hydrochloric Acid SCHEMBL2835754 0.80 HRH1 (0.68) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL13696305 0.80 HRH1 (0.56) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL3715511 0.77 HRH1 (0.53) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL13654434 0.75 HRH1 (0.67) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL13696232 0.72 KDM4E (0.69) HRH1HTR6ADRA2AHTR2AHTR2C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692131-A4 METHODS AND COMPOSITIONS FOR SLOWING AGING MEDIVATION INC (US) 2008-08-20 EP claimed
EP-1692131-A2 METHODS AND COMPOSITIONS FOR SLOWING AGING MEDIVATION, INC. (US) 2006-08-23 EP claimed
WO-2005055951-A2 METHODS AND COMPOSITIONS FOR SLOWING AGING MEDIVATION, INC. (US) 2005-06-23 WO claimed