SCHEMBL6985826

SCHEMBL6985826

Brc1ccc(NCCCCN2CCN3CCCCC3C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.51
HTR6 P50406 1/20 0.46
SIGMAR1 Q99720 5/20 0.45
FPR2 P25090 4/20 0.41
FPR3 P25089 3/20 0.41
TP53 P04637 1/20 0.39
TMEM97 Q5BJF2 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 SCHEMBL5842374 0.99 HTR7 (0.50) HTR7HTR6SIGMAR1FPR2FPR3
SCHEMBL6985304 0.89 SIGMAR1 (0.46) HTR7SIGMAR1TMEM97
SCHEMBL6986230 0.88 SIGMAR1 (0.45) HTR7SIGMAR1TP53TMEM97
Hydrochloric Acid SCHEMBL5842852 0.88 SIGMAR1 (0.45) HTR7SIGMAR1TMEM97
SCHEMBL6987164 0.88 SIGMAR1 (0.46) HTR7SIGMAR1TMEM97
Hydrochloric Acid SCHEMBL5841049 0.87 SIGMAR1 (0.49) HTR7SIGMAR1TMEM97
Hydrochloric Acid SCHEMBL5840920 0.87 SIGMAR1 (0.44) HTR7SIGMAR1TP53TMEM97
Hydrochloric Acid SCHEMBL5841184 0.87 SIGMAR1 (0.46) HTR7SIGMAR1TMEM97
SCHEMBL6985961 0.85 HRH3 (0.47) HTR7SIGMAR1
SCHEMBL5841500 0.85 MEN1 (0.45) HTR7SIGMAR1

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