SCHEMBL2186932

SCHEMBL2186932

Cc1ccc2c(c1)c1c(n2C=Cc2ccccn2)CCN(C2CCNCC2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.50
HRH1 P35367 10/20 0.50
ADRA2A P08913 3/20 0.50
DRD2 P14416 3/20 0.50
HTR2A P28223 3/20 0.50
HTR2C P28335 3/20 0.50
HTR7 P34969 3/20 0.50
ADRA1A P35348 3/20 0.50
BCHE P06276 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ACHE P22303 1/20 0.34
HRH2 P25021 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1E P28566 1/20 0.34
ADRA1B P35368 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2B P41595 1/20 0.34
HTR5A P47898 1/20 0.34

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
SCHEMBL3024067 0.90 HRH1 (0.56) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL3024070 0.90 HRH1 (0.56) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL3023789 0.84 HTR6 (0.45) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL3023786 0.84 HTR6 (0.45) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL3030251 0.82 HTR6 (0.73) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL3030253 0.82 HTR6 (0.73) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL3028589 0.80 HTR6 (0.47) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL3028591 0.80 HTR6 (0.47) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL12881878 0.78 HRH1 (0.70) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL3037847 0.76 HTR6 (0.51) HTR6HRH1ADRA2ADRD2HTR2A

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
EP-2346332-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES Medivation Technologies, Inc. (US) 2011-07-27 EP disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed