SCHEMBL8798070

SCHEMBL8798070

CCCCn1nc(NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)n(CCCC)c1=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.54
▸ HTR2A P28223 6/20 0.54
▸ HTR7 P34969 5/20 0.54
▸ HTR1A P08908 3/20 0.54
▸ HTR6 P50406 2/20 0.54
▸ ADRA1A P35348 5/20 0.51
▸ DRD3 P35462 5/20 0.51
▸ HRH4 Q9H3N8 1/20 0.51
▸ CTSK P43235 1/20 0.49
▸ HTR2C P28335 3/20 0.48
▸ SLC6A4 P31645 3/20 0.48
▸ CACNA1G O43497 1/20 0.48

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 0.85 DRD2 (0.52) DRD2HTR2AHTR7HTR1AHTR6
SCHEMBL8797552 0.84 DRD2 (0.58) DRD2HTR2AHTR7HTR1AHTR6
SCHEMBL8797479 0.83 DRD2 (0.56) DRD2HTR2AHTR7HTR1AADRA1A
SCHEMBL8797503 0.81 DRD2 (0.61) DRD2HTR2AHTR7HTR1AHTR6
SCHEMBL8797827 0.81 DRD2 (0.49) DRD2HTR2AHTR7HTR1AADRA1A
SCHEMBL8797848 0.78 HTR7 (0.53) DRD2HTR2AHTR7HTR1AHTR6
SCHEMBL13875120 0.78 SIGMAR1 (0.69) DRD2HTR7HTR1ADRD3
SCHEMBL13532761 0.76 DRD2 (0.61) DRD2HTR2AHTR7HTR1AADRA1A
Hydrochloric Acid SCHEMBL11642305 0.75 SIGMAR1 (0.60) DRD2HTR2AHTR7HTR1AHTR6
SCHEMBL13875122 0.75 SIGMAR1 (0.71) DRD2HTR7HTR1AADRA1ADRD3

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-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
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