SCHEMBL6919604

SCHEMBL6919604

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

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.67
SLC6A4 P31645 2/20 0.59
ADRA2A P08913 1/20 0.59
DRD2 P14416 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59
SLC6A2 P23975 1/20 0.59
ADRA1D P25100 1/20 0.59
HTR7 P34969 1/20 0.59
ADRA1A P35348 1/20 0.59
ADRA1B P35368 1/20 0.59
SLC6A3 Q01959 1/20 0.59
KCNH2 Q12809 1/20 0.59

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
SCHEMBL6919552 0.89 HTR1A (0.70) HTR1A
SCHEMBL6915960 0.86 HTR1A (0.56) HTR1ASLC6A4ADRA2ADRD2ADRA2B
SCHEMBL6819734 0.85 HTR1A (0.69) HTR1ADRD2
SCHEMBL6920034 0.83 HTR1A (0.66) HTR1ASLC6A4ADRA2ADRD2ADRA2B
SCHEMBL6819884 0.82 HTR1A (0.69) HTR1A
SCHEMBL1406171 0.82 HTR1A (0.47) HTR1ASLC6A4ADRA2ADRD2ADRA2B
SCHEMBL6819326 0.81 HTR1A (0.65) HTR1ADRD2
SCHEMBL16432772 0.80 HTR1A (1.00) HTR1ASLC6A4ADRA2ADRD2ADRA2B
SCHEMBL7160095 0.80 HTR1A (0.63) HTR1ASLC6A4ADRA2ADRD2ADRA2B
SCHEMBL16441158 0.80 HTR1A (0.86) HTR1ASLC6A4ADRA2ADRD2ADRA2B

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