SCHEMBL6985243

SCHEMBL6985243

COc1cc(NC(=O)CCN2CCN3CCCCC3C2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 2/20 0.52
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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 SCHEMBL5840917 0.99 SHMT2 (0.51) SHMT2POLBMEN1KMT2ATSHR
SCHEMBL6986043 0.94 SHMT2 (0.50) SHMT2POLBL3MBTL1LMNAATM
Hydrochloric Acid SCHEMBL5843596 0.93 SHMT2 (0.49) SHMT2POLBL3MBTL1MAPTLMNA
SCHEMBL5842431 0.83 SHMT2 (0.56) SHMT2POLBL3MBTL1LMNAALDH1A1
SCHEMBL6985422 0.83 SHMT2 (0.64) SHMT2POLBMEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL5840743 0.82 SHMT2 (0.63) SHMT2POLBMEN1KMT2AL3MBTL1
SCHEMBL9129577 0.81 MEN1 (0.60) MEN1KMT2ATSHRMAPTLMNA
SCHEMBL6986873 0.80 SHMT2 (0.44) SHMT2
SCHEMBL5841208 0.79 SHMT2 (0.44) SHMT2
Hydrochloric Acid SCHEMBL5840949 0.79 SHMT2 (0.44) SHMT2

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