SCHEMBL6979742

SCHEMBL6979742

O=C(CCCN1CCN2CCCCC2C1)N1CCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TSHR P16473 3/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
KDM4E B2RXH2 1/20 0.50
GRIN1 Q05586 1/20 0.49
GRIN2B Q13224 1/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
NOTUM Q6P988 1/20 0.49
ATM Q13315 1/20 0.49
DRD2 P14416 1/20 0.47

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 SCHEMBL5842416 0.99 MAPT (0.56) MAPTMEN1KMT2ATSHRNPC1
SCHEMBL5840364 0.95 MAPT (0.57) MAPTMEN1KMT2ATSHRMAPK1
SCHEMBL5841552 0.80 GRIN1 (0.55) MEN1KMT2AGRIN1GRIN2BALDH1A1
Hydrochloric Acid SCHEMBL5840866 0.79 GRIN1 (0.54) MEN1KMT2AGRIN1GRIN2BALDH1A1
SCHEMBL5842866 0.77 GRIN1 (0.54) MEN1KMT2AGRIN1GRIN2BALDH1A1
Hydrochloric Acid SCHEMBL5841279 0.76 GRIN1 (0.53) MEN1KMT2AGRIN1GRIN2BALDH1A1
SCHEMBL6978967 0.74 LMNA (0.53) KMT2ATP53ALDH1A1POLB
SCHEMBL5654699 0.73 KMT2A (0.65) MAPTMEN1KMT2ATSHRNPC1
Hydrochloric Acid SCHEMBL5842876 0.73 KMT2A (0.55) MAPTMEN1KMT2ATSHRTP53
SCHEMBL5843143 0.73 SIGMAR1 (0.55) SMN1; SMN2MAPK1

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