SCHEMBL6982698

SCHEMBL6982698

CC(CCCN1CCN2CCCCC2C1)Oc1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.45
HRH2 P25021 10/20 0.45
HRH1 P35367 10/20 0.45
SLC6A4 P31645 1/20 0.43
SIGMAR1 Q99720 3/20 0.42

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 SCHEMBL5841302 0.92 TSHR (0.40) HRH3HRH2HRH1SLC6A4
Fumaric Acid SCHEMBL5841307 0.92 TSHR (0.40) HRH3HRH2HRH1SLC6A4
SCHEMBL6976146 0.85 HRH3 (0.62) HRH3HRH2HRH1
SCHEMBL5842805 0.84 HRH3 (0.63) HRH3HRH2HRH1SIGMAR1
SCHEMBL6985236 0.82 HRH3 (0.46) HRH3HRH2HRH1SIGMAR1
SCHEMBL5842536 0.81 HRH3 (0.53) HRH3HRH2HRH1
SCHEMBL6983793 0.80 HRH3 (0.47) HRH3HRH2HRH1
Fumaric Acid SCHEMBL5841476 0.77 HRH3 (0.53) HRH3HRH2HRH1
Fumaric Acid SCHEMBL5841486 0.77 HRH3 (0.53) HRH3HRH2HRH1
Fumaric Acid SCHEMBL5841769 0.76 HRH3 (0.53) HRH3HRH2HRH1

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