SCHEMBL6983245

SCHEMBL6983245

Clc1cc(Cl)c2c(ccn2CCCCN2CCN3CCCCC3C2)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.54
SIGMAR1 Q99720 5/20 0.51
ABCB1 P08183 1/20 0.48
HTR6 P50406 1/20 0.47
ACLY P53396 1/20 0.41
HRH3 Q9Y5N1 2/20 0.38

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 SCHEMBL5842610 0.92 HTR7 (0.47) HTR7SIGMAR1ABCB1HTR6ACLY
Fumaric Acid SCHEMBL5842607 0.92 HTR7 (0.47) HTR7SIGMAR1ABCB1HTR6ACLY
SCHEMBL6983212 0.83 HTR7 (0.57) HTR7SIGMAR1ABCB1HTR6
SCHEMBL5842531 0.77 ABCB1 (0.80) HTR7SIGMAR1ABCB1HTR6HRH3
Fumaric Acid SCHEMBL5841362 0.76 HTR7 (0.49) HTR7SIGMAR1ABCB1HTR6HRH3
Fumaric Acid SCHEMBL5841357 0.76 HTR7 (0.49) HTR7SIGMAR1ABCB1HTR6HRH3
Hydrochloric Acid SCHEMBL5840985 0.76 ABCB1 (0.78) HTR7SIGMAR1ABCB1HTR6HRH3
SCHEMBL6978580 0.75 HTR7 (0.88) HTR7SIGMAR1ABCB1HTR6
SCHEMBL6984967 0.74 ABCB1 (0.76) HTR7SIGMAR1ABCB1HTR6HRH3
SCHEMBL6975705 0.74 HTR7 (0.64) HTR7SIGMAR1ABCB1HTR6

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