SCHEMBL8798171

SCHEMBL8798171

CCCCn1c(=O)[nH]nc(NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 9/20 0.52
▸ DRD3 P35462 8/20 0.52
▸ ADRA1A P35348 6/20 0.52
▸ HRH4 Q9H3N8 1/20 0.52
▸ HTR2A P28223 5/20 0.50
▸ HTR7 P34969 4/20 0.50
▸ HTR1A P08908 4/20 0.50
▸ HTR2C P28335 3/20 0.49
▸ SLC6A4 P31645 3/20 0.49
▸ HTR6 P50406 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ DRD1 P21728 1/20 0.48
▸ TBXA2R P21731 1/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ DRD5 P21918 2/20 0.47

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
SCHEMBL8797479 0.97 DRD2 (0.56) DRD2DRD3ADRA1AHRH4HTR2A
SCHEMBL8797827 0.96 DRD2 (0.49) DRD2DRD3ADRA1AHRH4HTR2A
SCHEMBL13532761 0.87 DRD2 (0.61) DRD2DRD3ADRA1AHRH4HTR2A
SCHEMBL8798070 0.85 DRD2 (0.54) DRD2DRD3ADRA1AHRH4HTR2A
SCHEMBL8797552 0.79 DRD2 (0.58) DRD2DRD3ADRA1AHRH4HTR2A
SCHEMBL13875120 0.79 SIGMAR1 (0.69) DRD2DRD3HTR7HTR1A
SCHEMBL8797550 0.78 DRD2 (0.61) DRD2DRD3ADRA1AHRH4HTR2A
SCHEMBL8798032 0.77 DRD2 (0.60) DRD2DRD3ADRA1AHRH4HTR2A
SCHEMBL8797503 0.77 DRD2 (0.61) DRD2DRD3ADRA1AHRH4HTR2A
SCHEMBL13875122 0.76 SIGMAR1 (0.71) DRD2DRD3ADRA1AHTR7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0707571-A1 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES AS 5HT1A LIGANDS PF MEDICAMENT (FR) 1996-04-24 — — EP claimed
WO-1995001965-A1 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES AS 5HT1A LIGANDS PIERRE FABRE MEDICAMENT (FR) 1995-01-19 — — WO claimed
EP-0707571-B1 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES AS 5HT1A LIGANDS PF MEDICAMENT (FR) 1997-05-02 — — EP disclosed
EP-0707571-A1 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES AS 5HT1A LIGANDS PF MEDICAMENT (FR) 1996-04-24 — — EP disclosed
WO-1995001965-A1 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES AS 5HT1A LIGANDS PIERRE FABRE MEDICAMENT (FR) 1995-01-19 — — WO disclosed
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