SCHEMBL6985304

SCHEMBL6985304

Fc1ccc(NCCCCN2CCN3CCCCC3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.46
HTR7 P34969 2/20 0.42
HTR3A P46098 1/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SCN5A Q14524 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
Hydrochloric Acid SCHEMBL5842852 0.99 SIGMAR1 (0.45) SIGMAR1HTR7HTR3ATMEM97
SCHEMBL6986230 0.89 SIGMAR1 (0.45) SIGMAR1HTR7TMEM97
SCHEMBL6985826 0.89 HTR7 (0.51) SIGMAR1HTR7TMEM97
SCHEMBL6987164 0.89 SIGMAR1 (0.46) SIGMAR1HTR7TMEM97
Hydrochloric Acid SCHEMBL5842374 0.88 HTR7 (0.50) SIGMAR1HTR7TMEM97
Hydrochloric Acid SCHEMBL5840920 0.88 SIGMAR1 (0.44) SIGMAR1HTR7TMEM97
Hydrochloric Acid SCHEMBL5841049 0.88 SIGMAR1 (0.49) SIGMAR1HTR7TMEM97
Hydrochloric Acid SCHEMBL5841184 0.88 SIGMAR1 (0.46) SIGMAR1HTR7TMEM97
SCHEMBL5841500 0.86 MEN1 (0.45) SIGMAR1HTR7
SCHEMBL6985961 0.86 HRH3 (0.47) SIGMAR1HTR7

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