SCHEMBL6985511

SCHEMBL6985511

O=C(c1ccc(OCCCCN2CCN3CCCCC3C2)cc1)C1CC1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.65
MAOB P27338 1/20 0.65
HRH2 P25021 16/20 0.58
HRH1 P35367 16/20 0.58

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
SCHEMBL6983437 0.97 HRH3 (0.64) HRH3MAOBHRH2HRH1
Fumaric Acid SCHEMBL5842139 0.94 HRH3 (0.58) HRH3MAOBHRH2HRH1
Fumaric Acid SCHEMBL5842136 0.94 HRH3 (0.58) HRH3MAOBHRH2HRH1
Fumaric Acid SCHEMBL5842148 0.91 HRH3 (0.57) HRH3MAOBHRH2HRH1
Fumaric Acid SCHEMBL5842158 0.91 HRH3 (0.57) HRH3MAOBHRH2HRH1
SCHEMBL6978473 0.88 HRH2 (0.59) HRH3MAOBHRH2HRH1
SCHEMBL6986499 0.86 HRH4 (0.67) HRH3HRH1
SCHEMBL6987324 0.85 MEN1 (0.47) HRH3MAOBHRH2HRH1
SCHEMBL5842805 0.82 HRH3 (0.63) HRH3HRH2HRH1
SCHEMBL6980738 0.82 HRH3 (0.49) HRH3

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-1275647-B1 Octahydro-2H-pyrido[1,2-a]pyrazine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-11-12 EP disclosed
EP-1275647-A1 Octahydro-2H-pyrido[1,2-a]pyrazine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-01-15 EP disclosed