SCHEMBL7536716

SCHEMBL7536716

CC(=O)N(c1ccc(CCC=O)cc1)N1CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
MAPKAPK2 P49137 5/20 0.33
AOC3 Q16853 2/20 0.32
KCNJ1 P48048 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM1A O60341 1/20 0.30
MAOB P27338 1/20 0.30
RCOR1 Q9UKL0 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL7536787 0.83 FFAR1 (0.41) KMT2A
SCHEMBL7544912 0.83 CYP4A11 (0.38) KMT2AMAPKAPK2AOC3KCNJ1KCNH2
SCHEMBL7538929 0.82 AOC3 (0.37) KMT2AMAPKAPK2AOC3
Hydrochloric Acid SCHEMBL7538675 0.80 FKBP1A (0.43) KMT2AKCNH2
SCHEMBL7540020 0.77 FKBP1A (0.55) KMT2A
SCHEMBL5717885 0.76 SIGMAR1 (0.45) KMT2A
SCHEMBL8930521 0.75 GFER (0.36) KMT2AMAPKAPK2
Hydrochloric Acid SCHEMBL5849112 0.75 SIGMAR1 (0.44) KMT2A
SCHEMBL7538015 0.75 FKBP1A (0.32) KMT2A
SCHEMBL8930545 0.71 ADRB1 (0.49) KMT2AKCNJ1KCNH2SLC6A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1211249-A1 NOVEL THIAZINE OR PYRAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-05 EP disclosed