SCHEMBL6984898

SCHEMBL6984898

COc1cc(C(=O)NCCCN2CCN3CCCCC3C2)cc(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.69
ATM Q13315 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.58
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
KCNH2 Q12809 1/20 0.49
TSHR P16473 1/20 0.48

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 SCHEMBL5842825 0.99 SLC29A1 (0.67) SLC29A1ATMSMN1; SMN2HSD17B10MEN1
SCHEMBL6986873 0.83 SHMT2 (0.44) SLC29A1KCNH2
SCHEMBL9199428 0.82 SLC29A1 (1.00) SLC29A1ATMSMN1; SMN2HSD17B10MEN1
Hydrochloric Acid SCHEMBL5840949 0.82 SHMT2 (0.44) SLC29A1SMN1; SMN2KCNH2
SCHEMBL6981147 0.81 KCNH2 (0.47) MEN1KMT2AKCNH2
SCHEMBL6986043 0.80 SHMT2 (0.50) SLC29A1ATMSMN1; SMN2
Hydrochloric Acid SCHEMBL5845218 0.80 MEN1 (0.46) MEN1KMT2AKCNH2
SCHEMBL5841208 0.80 SHMT2 (0.44) SLC29A1KCNH2
Hydrochloric Acid SCHEMBL5843596 0.80 SHMT2 (0.49) ATMSMN1; SMN2MAPT
SCHEMBL9129159 0.79 SLC29A1 (0.89) SLC29A1ATMSMN1; SMN2HSD17B10MEN1

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