SCHEMBL4728033

SCHEMBL4728033

c1ccc2c(N3CCN(CCCCc4ccc5c(c4)CNC5)CC3)cccc2c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.71
DRD2 P14416 12/20 0.71
HTR2A P28223 12/20 0.71
KCNH2 Q12809 6/20 0.71
ADRA1D P25100 2/20 0.58
ADRA1A P35348 2/20 0.58
ADRA1B P35368 2/20 0.58
DRD1 P21728 3/20 0.57
HTR2C P28335 3/20 0.57
HTR3A P46098 2/20 0.57
SLC6A4 P31645 3/20 0.53
HTR7 P34969 2/20 0.52

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
SCHEMBL4725929 0.89 DRD2 (0.73) HTR1ADRD2HTR2AKCNH2ADRA1D
SCHEMBL4725855 0.83 DRD2 (1.00) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL4729511 0.82 DRD2 (1.00) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL4727401 0.78 DRD2 (0.90) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL4727331 0.78 DRD2 (0.56) HTR1ADRD2HTR2AKCNH2
SCHEMBL9373235 0.77 SIGMAR1 (0.63) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL8948107 0.76 HTR1A (0.73) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL4892696 0.76 HTR1A (0.64) HTR1ADRD2HTR2AADRA1DADRA1A
Hydrochloric Acid SCHEMBL7098475 0.75 HTR1A (0.63) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL5763172 0.74 HTR1A (0.60) HTR1ADRD2HTR2AKCNH2HTR7

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-2008020306-A2 ISOINDOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-21 WO claimed