SCHEMBL8797827

SCHEMBL8797827

CCCCn1c(=O)[nH]nc(NCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 8/20 0.49
▸ DRD3 P35462 6/20 0.49
▸ ADRA1A P35348 4/20 0.49
▸ HTR1A P08908 4/20 0.49
▸ SLC6A4 P31645 2/20 0.49
▸ HRH4 Q9H3N8 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ TBXA2R P21731 1/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ HTR7 P34969 4/20 0.48
▸ HTR2A P28223 4/20 0.47
▸ DRD5 P21918 2/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8798171 0.96 DRD2 (0.52) DRD2DRD3ADRA1AHTR1ASLC6A4
SCHEMBL8797479 0.95 DRD2 (0.56) DRD2DRD3ADRA1AHTR1AHRH4
SCHEMBL13532761 0.84 DRD2 (0.61) DRD2DRD3ADRA1AHTR1AHRH4
SCHEMBL8798070 0.81 DRD2 (0.54) DRD2DRD3ADRA1AHTR1ASLC6A4
SCHEMBL8797848 0.78 HTR7 (0.53) DRD2DRD3ADRA1AHTR1AHRH4
SCHEMBL13875120 0.77 SIGMAR1 (0.69) DRD2DRD3HTR1AHTR7ALDH1A1
SCHEMBL8797550 0.75 DRD2 (0.61) DRD2DRD3ADRA1AHTR1AHRH4
SCHEMBL8797552 0.74 DRD2 (0.58) DRD2DRD3ADRA1AHTR1AHRH4
SCHEMBL13875122 0.74 SIGMAR1 (0.71) DRD2DRD3ADRA1AHTR1AHTR7
SCHEMBL8798032 0.74 DRD2 (0.60) DRD2DRD3ADRA1AHTR1AHRH4

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 5 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
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