SCHEMBL7544912

SCHEMBL7544912

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.38
MLNR O43193 2/20 0.36
SIGMAR1 Q99720 2/20 0.35
PPARA Q07869 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP2J2 P51589 1/20 0.34
CA2 P00918 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPKAPK2 P49137 4/20 0.33
LMNA P02545 1/20 0.33
AOC3 Q16853 1/20 0.33
KCNJ1 P48048 1/20 0.32
KCNH2 Q12809 1/20 0.32

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 0.84 FFAR1 (0.41) CA2KMT2ALMNA
SCHEMBL7538929 0.83 AOC3 (0.37) KMT2AMAPKAPK2LMNAAOC3
SCHEMBL7536716 0.83 KMT2A (0.33) KMT2AMAPKAPK2AOC3KCNJ1KCNH2
Hydrochloric Acid SCHEMBL7538675 0.81 FKBP1A (0.43) KMT2AKCNH2
SCHEMBL7540020 0.78 FKBP1A (0.55) KMT2A
SCHEMBL5717885 0.77 SIGMAR1 (0.45) SIGMAR1KMT2A
SCHEMBL8930521 0.76 GFER (0.36) SIGMAR1KMT2AMAPKAPK2
Hydrochloric Acid SCHEMBL5849112 0.76 SIGMAR1 (0.44) SIGMAR1KMT2A
SCHEMBL7538015 0.76 FKBP1A (0.32) KMT2A
SCHEMBL8930545 0.72 ADRB1 (0.49) KMT2ALMNAKCNJ1KCNH2

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