SCHEMBL8405409

SCHEMBL8405409

[NH]CC1Cc2ccccc2OO1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
MAOA P21397 6/20 0.33
MAOB P27338 6/20 0.33
AOC2 O75106 5/20 0.33
DAO P14920 1/20 0.33
CA2 P00918 2/20 0.32
NISCH Q9Y2I1 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL3767763 0.81 HRH3 (0.37) HRH3MAOAMAOBAOC2DAO
SCHEMBL2452704 0.81 HRH3 (0.37) HRH3MAOAMAOBAOC2DAO
SCHEMBL4675701 0.81 HRH3 (0.40) HRH3MAOAMAOBAOC2DAO
SCHEMBL502587 0.81 MAOA (0.40) HRH3MAOAMAOBAOC2DAO
SCHEMBL7380988 0.81 HRH3 (0.49) HRH3MAOAMAOBAOC2DAO
SCHEMBL4214550 0.77 HRH3 (0.35) HRH3MAOAMAOBAOC2DAO
SCHEMBL6174120 0.77 HRH3 (0.35) HRH3MAOAMAOBAOC2DAO
SCHEMBL11451572 0.76 HTT (0.38) HRH3
SCHEMBL9770362 0.75 TDP1 (0.53) HRH3
SCHEMBL9463075 0.74 ADRA2A (0.52) HRH3SIGMAR1HTR1AADRA2AADRA2B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977106-A 3,5-dioxo-(2H,4H)-1,2,4-triazine derivatives PIERRE FABRE MEDICAMENT (FR) 1999-11-02 US claimed
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
EP-0707571-B1 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES AS 5HT1A LIGANDS PF MEDICAMENT (FR) 1997-05-02 EP claimed
US-5591743-A ANXIOLYTIC DRUGS OR HYPOTENSIVE AGENTS PIERRE FABRE MEDICAMENT (FR) 1997-01-07 US claimed
US-5977106-A 3,5-dioxo-(2H,4H)-1,2,4-triazine derivatives PIERRE FABRE MEDICAMENT (FR) 1999-11-02 US disclosed
US-5977106-A 3,5-dioxo-(2H,4H)-1,2,4-triazine derivatives PIERRE FABRE MEDICAMENT (FR) 1999-11-02 US disclosed
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 disclosed
EP-0794949-A1 NOVEL 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES, THEIR PREPARATION AND USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1997-09-17 EP disclosed
US-5591743-A ANXIOLYTIC DRUGS OR HYPOTENSIVE AGENTS PIERRE FABRE MEDICAMENT (FR) 1997-01-07 US disclosed
WO-1996016949-A1 NOVEL 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES, THEIR PREPARATION AND USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-06-06 WO disclosed