SCHEMBL8406983

SCHEMBL8406983

Cn1c(=O)cnn(CCCCN2CCN(c3cccc(Cl)c3)CC2)c1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.77
ADRA1A P35348 10/20 0.77
ADRA1B P35368 10/20 0.77
ADRA1D P25100 9/20 0.77
HTR2A P28223 5/20 0.77
HTR7 P34969 5/20 0.77
ADRA2A P08913 4/20 0.77
ADRA2C P18825 4/20 0.77
DRD4 P21917 4/20 0.77
HRH2 P25021 4/20 0.77
HRH1 P35367 4/20 0.77
SIGMAR1 Q99720 4/20 0.77
DRD2 P14416 4/20 0.77
HTR1B P28222 2/20 0.77
HTR2B P41595 2/20 0.77
KCNH2 Q12809 1/20 0.63
ADRA2B P18089 3/20 0.60
HTR6 P50406 3/20 0.60
ADRB2 P07550 2/20 0.60
ADRB1 P08588 2/20 0.60

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 SCHEMBL8405473 0.99 HTR1A (0.76) HTR1AADRA1AADRA1BADRA1DHTR2A
SCHEMBL4546507 0.89 HTR1A (0.77) HTR1AADRA1AADRA1BADRA1DHTR2A
SCHEMBL8402916 0.89 HTR1A (0.72) HTR1AADRA1AADRA1BADRA1DHTR2A
SCHEMBL4546515 0.88 HTR1A (0.76) HTR1AADRA1AADRA1BADRA1DHTR2A
SCHEMBL15042737 0.87 HTR1A (1.00) HTR1AADRA1AADRA1BADRA1DHTR2A
SCHEMBL4546542 0.87 HTR1A (1.00) HTR1AADRA1AADRA1BADRA1DHTR2A
SCHEMBL8406604 0.87 HTR1A (0.70) HTR1AADRA1AADRA1BADRA1DHTR2A
SCHEMBL8407244 0.85 HTR1A (0.71) HTR1AADRA1AADRA1BADRA1DHTR2A
Hydrochloric Acid SCHEMBL8402880 0.84 HTR1A (0.70) HTR1AADRA1AADRA1BADRA1DHTR2A
SCHEMBL15042740 0.83 HTR1A (0.78) HTR1AADRA1AADRA1BADRA1DHTR2A

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-0794949-B1 NOVEL 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES, THEIR PREPARATION AND USE AS DRUGS PF MEDICAMENT (FR) 1998-07-29 EP claimed
US-5977106-A 3,5-dioxo-(2H,4H)-1,2,4-triazine derivatives PIERRE FABRE MEDICAMENT (FR) 1999-11-02 US disclosed