SCHEMBL7133277

SCHEMBL7133277

N#Cc1ccc2[nH]cc(CCCCN3CCN(c4nc(-c5cc6ccccc6oc5=O)cs4)CC3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.57
DRD2 P14416 3/20 0.55
ADRA2A P08913 2/20 0.55
ADRA2C P18825 2/20 0.55
SLC6A2 P23975 2/20 0.55
ADRA1D P25100 2/20 0.55
SLC6A4 P31645 2/20 0.55
HTR7 P34969 2/20 0.55
ADRA1A P35348 2/20 0.55
ADRA1B P35368 2/20 0.55
SLC6A3 Q01959 2/20 0.55
ADRA2B P18089 1/20 0.55
KCNH2 Q12809 1/20 0.55
ADRB2 P07550 1/20 0.54
DRD4 P21917 1/20 0.54
FPR3 P25089 1/20 0.54
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54
GPR183 P32249 1/20 0.54
HRH1 P35367 1/20 0.54

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
SCHEMBL7195440 0.88 HTR1A (0.63) HTR1ADRD2SLC6A4HTR2A
SCHEMBL6815311 0.83 HTR1A (0.62) HTR1ADRD2SLC6A4HTR2A
SCHEMBL6819326 0.82 HTR1A (0.65) HTR1ADRD2HTR2A
SCHEMBL6823577 0.81 HTR1A (0.60) HTR1ADRD2SLC6A4HTR2A
SCHEMBL6920285 0.81 HTR1A (0.61) HTR1ADRD2SLC6A4HTR2A
SCHEMBL6819734 0.80 HTR1A (0.69) HTR1ADRD2HTR2A
SCHEMBL6819884 0.79 HTR1A (0.69) HTR1A
SCHEMBL5201581 0.76 HTR1A (0.63) HTR1ADRD2KCNH2HTR6HTR2A
SCHEMBL6919604 0.76 HTR1A (0.67) HTR1ADRD2ADRA2AADRA2CSLC6A2
SCHEMBL6819132 0.76 HTR1A (0.59) HTR1ADRD2SLC6A4KCNH2HTR6

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
WO-2004041815-A1 INDOLE DERIVATIVE WITH 5HT1A AFFINITY MERCK PATENT GMBH (DE) 2004-05-21 WO claimed