SCHEMBL9843893

SCHEMBL9843893

Clc1cc2c(cc1CCN1CCN(c3nsc4ccccc34)CC1)CCCCN2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.68
DRD2 P14416 5/20 0.68
HTR1A P08908 4/20 0.68
KCNH2 Q12809 3/20 0.68
HTR7 P34969 3/20 0.68
HTR3E A5X5Y0 1/20 0.68
HTR3B O95264 1/20 0.68
ABCB11 O95342 1/20 0.68
PGR P06401 1/20 0.68
CHRM2 P08172 1/20 0.68
ADRA2A P08913 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
MAPT P10636 1/20 0.68
CHRM1 P11229 1/20 0.68
GOT1 P17174 1/20 0.68
ADRA2B P18089 1/20 0.68
ADRA2C P18825 1/20 0.68
DRD1 P21728 1/20 0.68
DRD4 P21917 1/20 0.68
SLC6A2 P23975 1/20 0.68

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
SCHEMBL5766837 0.94 HTR2A (0.73) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL5764070 0.89 HTR7 (0.65) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL9367357 0.86 HTR2A (0.82) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL13569784 0.84 HTR2A (0.68) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL9366347 0.84 HTR2A (0.85) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL12636008 0.83 HTR2A (0.80) HTR2ADRD2HTR1AKCNH2HTR7
Ziprasidone SCHEMBL1650481 0.81 HTR2A (0.96) HTR2ADRD2HTR1AKCNH2HTR7
Ziprasidone SCHEMBL4774002 0.81 HTR2A (1.00) HTR2ADRD2HTR1AKCNH2HTR7
Ziprasidone SCHEMBL29368426 0.81 HTR2A (1.00) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL12084192 0.81 HTR2A (0.69) HTR2ADRD2HTR1AKCNH2HTR7

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-0409435-A1 Heteroaryl piperazine antipsychotic agents PFIZER INC. (US) 1991-01-23 EP disclosed