SCHEMBL30767207

SCHEMBL30767207

O=c1n(CCCN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccn12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.80
DRD2 P14416 14/20 0.80
HTR2A P28223 14/20 0.80
KDM4E B2RXH2 2/20 0.80
ALDH1A1 P00352 2/20 0.80
HPGD P15428 2/20 0.80
HSD17B10 Q99714 2/20 0.80
SLC6A4 P31645 2/20 0.80
ADRA1A P35348 2/20 0.80
HRH1 P35367 2/20 0.80
KCNH2 Q12809 2/20 0.80
ABCB11 O95342 1/20 0.80
LMNA P02545 1/20 0.80
ADRA2A P08913 1/20 0.80
CYP2D6 P10635 1/20 0.80
ADRA2B P18089 1/20 0.80
ADRA2C P18825 1/20 0.80
DRD1 P21728 1/20 0.80
DRD4 P21917 1/20 0.80
HRH2 P25021 1/20 0.80

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
Hydrochloric Acid SCHEMBL30945326 0.99 KDM4E (0.81) HTR1ADRD2HTR2AKDM4EALDH1A1
SCHEMBL30767220 0.91 HTR1A (0.80) HTR1ADRD2HTR2AKDM4EALDH1A1
Trazodone SCHEMBL28167 0.89 HTR1A (1.00) HTR1ADRD2HTR2AKDM4EALDH1A1
Trazodone SCHEMBL29390760 0.89 HTR1A (1.00) HTR1ADRD2HTR2AKDM4EALDH1A1
Trazodone SCHEMBL28226073 0.88 HTR1A (0.98) HTR1ADRD2HTR2AKDM4EALDH1A1
Trazodone SCHEMBL3402550 0.88 KDM4E (1.00) HTR1ADRD2HTR2AKDM4EALDH1A1
Trazodone SCHEMBL61754 0.88 KDM4E (1.00) HTR1ADRD2HTR2AKDM4EALDH1A1
Trazodone SCHEMBL29575935 0.88 KDM4E (1.00) HTR1ADRD2HTR2AKDM4EALDH1A1
SCHEMBL11174569 0.88 HTR1A (0.78) HTR1ADRD2HTR2AKDM4EALDH1A1
Trazodone SCHEMBL120883 0.87 HTR1A (0.96) HTR1ADRD2HTR2AKDM4EALDH1A1

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
CN-117470987-A Detection method of trazodone hydrochloride related substances 湖南省湘中制药有限公司 2024-01-30 CN disclosed