SCHEMBL6986043

SCHEMBL6986043

COc1cc(NC(=O)CCCN2CCN3CCCCC3C2)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 2/20 0.50
POLB P06746 2/20 0.47
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.43
THRB P10828 1/20 0.42
SLC29A1 Q99808 1/20 0.42
CACNA1G O43497 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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 SCHEMBL5843596 0.99 SHMT2 (0.49) SHMT2POLBALDH1A1LMNASMN1; SMN2
SCHEMBL6985243 0.94 SHMT2 (0.52) SHMT2POLBALDH1A1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL5840917 0.93 SHMT2 (0.51) SHMT2POLBALDH1A1LMNAL3MBTL1
SCHEMBL6985422 0.89 SHMT2 (0.64) SHMT2POLBALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL5840743 0.89 SHMT2 (0.63) SHMT2POLBALDH1A1LMNASMN1; SMN2
SCHEMBL5842431 0.85 SHMT2 (0.56) SHMT2POLBALDH1A1LMNASMN1; SMN2
SCHEMBL6980711 0.84 MAPT (0.57) POLBALDH1A1SMN1; SMN2L3MBTL1CACNA1G
Hydrochloric Acid SCHEMBL5842053 0.83 MAPT (0.56) POLBALDH1A1SMN1; SMN2L3MBTL1CACNA1G
SCHEMBL6983602 0.83 SIGMAR1 (0.47) ALDH1A1CACNA1G
SCHEMBL6986873 0.83 SHMT2 (0.44) SHMT2SLC29A1

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