SCHEMBL6580422

SCHEMBL6580422

O=C1CC2(CCCCC2)CC(=O)N1CCBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.47
ADRA1B P35368 11/20 0.47
ADRA1A P35348 5/20 0.47
DRD2 P14416 4/20 0.44
ADRA1D P25100 4/20 0.44
SLC22A2 O15244 1/20 0.43
ABCB11 O95342 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ADRA2C P18825 1/20 0.43
CNR1 P21554 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL6580269 0.98 HTR1A (0.48) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL9034075 0.87 HTR1A (0.50) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL7304949 0.85 HTR1A (0.52) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL9035109 0.84 HTR1A (0.51) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL11608413 0.81 HTR1A (0.47) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL8943556 0.78 HTR1A (0.48) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL12600977 0.78 HTR1A (0.48) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL9386416 0.78 HTR1A (0.48) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL6751068 0.78 HTR1A (0.49) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL14359379 0.78 HTR1A (0.51) HTR1AADRA1BADRA1ADRD2ADRA1D

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-1200406-B1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI CHEM PHARM (IT) 2004-11-24 EP disclosed