SCHEMBL11267488

SCHEMBL11267488

Cc1ccc(C2=CCN(CCCn3nc4ccccn4c3=O)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.51
DRD2 P14416 10/20 0.51
HTR2A P28223 10/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
SLC6A4 P31645 2/20 0.51
ADRA1A P35348 2/20 0.51
HRH1 P35367 2/20 0.51
KCNH2 Q12809 2/20 0.51
ABCB11 O95342 1/20 0.51
LMNA P02545 1/20 0.51
ADRA2A P08913 1/20 0.51
CYP2D6 P10635 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
DRD1 P21728 1/20 0.51
DRD4 P21917 1/20 0.51

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
SCHEMBL11267176 0.91 HTR1A (0.57) HTR1ADRD2HTR2AKDM4EALDH1A1
SCHEMBL11264673 0.88 KDM4E (0.51) HTR1ADRD2HTR2AKDM4EALDH1A1
SCHEMBL4865321 0.80 DRD2 (0.59) HTR1ADRD2HTR2AKDM4ESIGMAR1
SCHEMBL11275359 0.78 DRD2 (0.54) HTR1ADRD2HTR2AKDM4EALDH1A1
SCHEMBL4868327 0.78 DRD2 (0.62) HTR1ADRD2HTR2AKDM4ESIGMAR1
SCHEMBL11271541 0.74 GPR139 (0.41) HTR1ADRD2HTR2AKDM4EALDH1A1
SCHEMBL269389 0.74 DRD2 (0.62) HTR1ADRD2HTR2AKDM4EALDH1A1
SCHEMBL4868396 0.73 DRD2 (0.56) HTR1ADRD2HTR2AKDM4EHSD17B10
SCHEMBL30767220 0.72 HTR1A (0.80) HTR1ADRD2HTR2AKDM4EALDH1A1
SCHEMBL7289223 0.72 HTR1A (0.72) HTR1ADRD2HTR2ASIGMAR1SLC6A4

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
US-4340597-A 1-Substituted-4-aryl-1,2,5,6-tetrahydro and hexahydropyridines SCHERING CORPORATION (US) 1982-07-20 US claimed
US-4340597-A 1-Substituted-4-aryl-1,2,5,6-tetrahydro and hexahydropyridines SCHERING CORPORATION (US) 1982-07-20 US disclosed