SCHEMBL8406604

SCHEMBL8406604

Cn1c(=O)cnn(CCCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.70
ADRA1A P35348 12/20 0.70
ADRA1B P35368 12/20 0.70
ADRA1D P25100 11/20 0.70
HTR7 P34969 7/20 0.67
ADRA2A P08913 5/20 0.67
ADRA2C P18825 5/20 0.67
DRD4 P21917 5/20 0.67
HRH2 P25021 5/20 0.67
HRH1 P35367 5/20 0.67
HTR2A P28223 5/20 0.67
DRD2 P14416 5/20 0.67
SIGMAR1 Q99720 4/20 0.67
HTR1B P28222 3/20 0.67
HTR2B P41595 3/20 0.67
ADRA2B P18089 4/20 0.57
HTR1D P28221 2/20 0.57
DRD3 P35462 3/20 0.55
HTR5A P47898 3/20 0.55
HTR6 P50406 3/20 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
SCHEMBL8406983 0.87 HTR1A (0.77) HTR1AADRA1AADRA1BADRA1DHTR7
SCHEMBL8402916 0.86 HTR1A (0.72) HTR1AADRA1AADRA1BADRA1DHTR7
Hydrochloric Acid SCHEMBL8405473 0.86 HTR1A (0.76) HTR1AADRA1AADRA1BADRA1DHTR7
SCHEMBL15042722 0.84 HTR1A (0.80) HTR1AADRA1AADRA1BADRA1DHTR7
SCHEMBL12182164 0.83 HTR1A (0.78) HTR1AADRA1AADRA1BADRA1DHTR7
SCHEMBL15042727 0.83 HTR1A (0.67) HTR1AADRA1AADRA1BADRA1DHTR7
SCHEMBL15042737 0.82 HTR1A (1.00) HTR1AADRA1AADRA1BADRA1DHTR7
SCHEMBL4546507 0.82 HTR1A (0.77) HTR1AADRA1AADRA1BADRA1DHTR7
SCHEMBL4546515 0.81 HTR1A (0.76) HTR1AADRA1AADRA1BADRA1DHTR7
SCHEMBL15042724 0.81 HTR1A (0.71) HTR1AADRA1AADRA1BADRA1DHTR7

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