SCHEMBL9956089

SCHEMBL9956089

CNC(=O)c1cc2c(N3CCN(CCc4cccc5c4CC(C)C(=O)N5)CC3)cccc2o1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
DRD2 P14416 10/20 0.43
HTR2A P28223 5/20 0.43
SLC6A4 P31645 3/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
KCNH2 Q12809 2/20 0.43
DRD3 P35462 5/20 0.41
DRD4 P21917 3/20 0.40
HTR2C P28335 2/20 0.40
PARP1 P09874 2/20 0.38

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
SCHEMBL9959855 0.81 HTR1A (0.56) HTR1ASLC6A2SLC6A3DRD2HTR2A
SCHEMBL9955994 0.72 MAOB (0.53) HTR1ADRD2DRD3DRD4
SCHEMBL9954948 0.71 KDM4E (0.48) HTR1ADRD2HTR2AHTR1DHTR1B
SCHEMBL9954861 0.70 ALDH1A1 (0.47) DRD2DRD3
SCHEMBL10068249 0.66 BACE1 (0.57)
SCHEMBL932198 0.62
SCHEMBL9051496 0.62 NPSR1 (0.51) HTR1ADRD2HTR1DHTR1BDRD3
SCHEMBL428483 0.61 HTR1A (0.73) HTR1ASLC6A4HTR1DHTR1BKCNH2
SCHEMBL6219096 0.61 HTR2A (0.58) HTR1ADRD2HTR2A
SCHEMBL21485179 0.61 DRD2 (1.00) HTR1ADRD2HTR2A

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-2655365-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE AstraZeneca AB (SE) 2013-10-30 EP claimed
WO-2012087229-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2012-06-28 WO claimed