SCHEMBL6985961

SCHEMBL6985961

CC(C)(C)c1ccc(NCCCCN2CCN3CCCCC3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
SIGMAR1 Q99720 2/20 0.42
HTR7 P34969 3/20 0.41
CCR3 P51677 6/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
Hydrochloric Acid SCHEMBL5840905 0.99 HRH3 (0.46) HRH3SIGMAR1HTR7CCR3
SCHEMBL6986230 0.87 SIGMAR1 (0.45) HRH3SIGMAR1HTR7
Hydrochloric Acid SCHEMBL5840920 0.86 SIGMAR1 (0.44) SIGMAR1HTR7
SCHEMBL6985304 0.86 SIGMAR1 (0.46) SIGMAR1HTR7
Hydrochloric Acid SCHEMBL5842852 0.85 SIGMAR1 (0.45) SIGMAR1HTR7
SCHEMBL6985826 0.85 HTR7 (0.51) SIGMAR1HTR7
SCHEMBL6987164 0.85 SIGMAR1 (0.46) SIGMAR1HTR7
SCHEMBL6988480 0.84 SIGMAR1 (0.45) SIGMAR1HTR7GAAMAPT
Hydrochloric Acid SCHEMBL5842374 0.84 HTR7 (0.50) SIGMAR1HTR7
Hydrochloric Acid SCHEMBL5841049 0.84 SIGMAR1 (0.49) HRH3SIGMAR1HTR7LMNAHTT

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