SCHEMBL6986839

SCHEMBL6986839

COc1cc(N(C(=O)CCCN2CCN3CCCCC3C2)c2ccccc2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
SIGMAR1 Q99720 2/20 0.41
SHMT2 P34897 1/20 0.40
SLC29A1 Q99808 2/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 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
SCHEMBL5842277 0.87 SLC29A1 (0.42) ALDH1A1HTTTAAR1SIGMAR1SLC29A1
SCHEMBL6986054 0.86 SIGMAR1 (0.46) SIGMAR1SHMT2SLC29A1POLBLMNA
Hydrochloric Acid SCHEMBL5842883 0.85 SIGMAR1 (0.46) ALDH1A1HTTTAAR1SIGMAR1SHMT2
SCHEMBL5842908 0.82 FGFR3 (0.42) SIGMAR1
Hydrochloric Acid SCHEMBL5841494 0.81 FGFR3 (0.43) ALDH1A1HTTTAAR1SIGMAR1
SCHEMBL6986270 0.78 SLC29A1 (0.41) SIGMAR1SHMT2SLC29A1LMNA
SCHEMBL6986043 0.78 SHMT2 (0.50) ALDH1A1SHMT2SLC29A1POLBLMNA
SCHEMBL6985289 0.78 SIGMAR1 (0.40) SIGMAR1
Hydrochloric Acid SCHEMBL5842572 0.78 MEN1 (0.40) ALDH1A1HTTTAAR1SIGMAR1SHMT2
Hydrochloric Acid SCHEMBL5842442 0.77 HTR7 (0.41) ALDH1A1HTTTAAR1SIGMAR1

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