SCHEMBL21239014

SCHEMBL21239014

N=Cc1ccc(OCCCCN2CCN(c3cccc4ccccc34)CC2)nc1N

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.57
DRD2 P14416 13/20 0.57
HTR2A P28223 13/20 0.57
KCNH2 Q12809 5/20 0.50
SLC6A4 P31645 6/20 0.48
DRD3 P35462 2/20 0.46

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
SCHEMBL21239146 0.90 HTR1A (0.57) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL21238959 0.85 DRD2 (0.57) HTR1ADRD2HTR2ASLC6A4DRD3
SCHEMBL5364977 0.84 HTR1A (0.58) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL5375318 0.81 HTR1A (0.55) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL15534212 0.77 HTR1A (0.59) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL15601661 0.77 DRD2 (0.62) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL17471492 0.77 DRD2 (0.59) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL5363663 0.76 HTR1A (0.61) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL16559710 0.76 HTR1A (0.61) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL5827507 0.75 DRD2 (0.51) HTR1ADRD2HTR2AKCNH2SLC6A4

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-2847193-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-08-07 EP disclosed