SCHEMBL5765752

SCHEMBL5765752

CC(=O)N1CCc2cc(CCCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.55
DRD2 P14416 6/20 0.55
HTR1A P08908 4/20 0.55
HTR7 P34969 3/20 0.55
KCNH2 Q12809 2/20 0.55
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
ABCB11 O95342 1/20 0.55
PGR P06401 1/20 0.55
CHRM2 P08172 1/20 0.55
ADRA2A P08913 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
MAPT P10636 1/20 0.55
CHRM1 P11229 1/20 0.55
GOT1 P17174 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
DRD1 P21728 1/20 0.55
DRD4 P21917 1/20 0.55
SLC6A2 P23975 1/20 0.55

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
SCHEMBL5767492 0.95 HTR2A (0.61) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL5764900 0.85 HTR2A (0.60) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL5766918 0.85 HTR2A (0.52) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL5764322 0.79 HTR2A (0.58) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL5764070 0.79 HTR7 (0.65) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL5767140 0.79 HTR2A (0.61) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL29086457 0.79 ALDH1A1 (0.52) HTR2ADRD2HTR1AKCNH2MAPT
SCHEMBL30297152 0.79 ALDH1A1 (0.52) HTR2ADRD2HTR1AKCNH2MAPT
SCHEMBL9370054 0.77 HTR2A (0.63) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL5764221 0.77 HTR1A (0.62) HTR2ADRD2HTR1AHTR7KCNH2

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-1701954-A1 N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES Warner-Lambert Company LLC (US) 2006-09-20 EP claimed
WO-2005066165-A1 N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-07-21 WO claimed