SCHEMBL6986270

SCHEMBL6986270

COc1cc(N(CCCCN2CCN3CCCCC3C2)C(C)=O)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 5/20 0.41
SIGMAR1 Q99720 3/20 0.41
SHMT2 P34897 2/20 0.40
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ABCC4 O15439 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
SCN1A P35498 1/20 0.39
THPO P40225 1/20 0.39
HTR2B P41595 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 SCHEMBL5842572 0.99 MEN1 (0.40) SLC29A1SIGMAR1SHMT2MEN1LMNA
SCHEMBL6984251 0.85 HTR7 (0.41) SIGMAR1SHMT2CHRM3KCNH2
Hydrochloric Acid SCHEMBL5840216 0.84 HTR7 (0.41) SIGMAR1CHRM3KCNH2
SCHEMBL6986054 0.82 SIGMAR1 (0.46) SLC29A1SIGMAR1SHMT2MEN1LMNA
Hydrochloric Acid SCHEMBL5842883 0.81 SIGMAR1 (0.46) SLC29A1SIGMAR1SHMT2MEN1LMNA
SCHEMBL5842908 0.81 FGFR3 (0.42) SIGMAR1
Hydrochloric Acid SCHEMBL5841494 0.80 FGFR3 (0.43) SIGMAR1
SCHEMBL5842277 0.80 SLC29A1 (0.42) SLC29A1SIGMAR1MEN1KMT2A
SCHEMBL6985289 0.79 SIGMAR1 (0.40) SIGMAR1MEN1KMT2ACHRM3KCNH2
Hydrochloric Acid SCHEMBL5842442 0.78 HTR7 (0.41) SIGMAR1MEN1KMT2ACHRM3KCNH2

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