SCHEMBL6983793

SCHEMBL6983793

CC(CCOc1ccc(C#N)cc1)CN1CCN2CCCCC2C1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.47
HRH2 P25021 10/20 0.46
HRH1 P35367 10/20 0.46
MEN1 O00255 1/20 0.41

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
Fumaric Acid SCHEMBL5842845 0.91 PTGER4 (0.42) HRH3HRH2HRH1MEN1
Fumaric Acid SCHEMBL5842842 0.91 PTGER4 (0.42) HRH3HRH2HRH1MEN1
SCHEMBL5842536 0.86 HRH3 (0.53) HRH3HRH2HRH1
SCHEMBL6976146 0.85 HRH3 (0.62) HRH3HRH2HRH1MEN1
SCHEMBL6985236 0.85 HRH3 (0.46) HRH3HRH2HRH1
SCHEMBL5842805 0.84 HRH3 (0.63) HRH3HRH2HRH1MEN1
SCHEMBL6979155 0.81 HRH3 (0.47) HRH3HRH2HRH1
SCHEMBL6982698 0.80 HRH3 (0.45) HRH3HRH2HRH1
Fumaric Acid SCHEMBL5842146 0.78 KCNA5 (0.49) HRH3HRH2HRH1MEN1
Fumaric Acid SCHEMBL5842157 0.78 KCNA5 (0.49) HRH3HRH2HRH1MEN1

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