SCHEMBL6982652

SCHEMBL6982652

COc1cc(OCCCCN2CCN3CCCCC3C2)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.42
SLC6A4 P31645 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.42
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
NSD2 O96028 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
KCNJ1 P48048 4/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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 SCHEMBL5841723 0.92 ACHE (0.43) HRH3KCNJ1HRH2HRH1
Fumaric Acid SCHEMBL5841727 0.92 ACHE (0.43) HRH3KCNJ1HRH2HRH1
SCHEMBL5841718 0.83 SLC29A1 (0.44) HRH3SIGMAR1
SCHEMBL5842805 0.82 HRH3 (0.63) HRH3HRH2HRH1SIGMAR1
Hydrochloric Acid SCHEMBL5841791 0.82 SLC29A1 (0.43) HRH3SIGMAR1
SCHEMBL6981970 0.82 MEN1 (0.48) HRH3HTR1AHTR7SIGMAR1
SCHEMBL5840560 0.82 HRH3 (0.43) HRH3NSD2EHMT2HRH2HRH1
SCHEMBL5841418 0.80 MGLL (0.50) HRH3HRH1
SCHEMBL6976146 0.79 HRH3 (0.62) HRH3HRH2HRH1
SCHEMBL5840444 0.77 MEN1 (0.49) SIGMAR1

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