SCHEMBL7992034

SCHEMBL7992034

NCCC[C@@H](C(=O)O)N(CC1CCCCC1)C(=O)C(=O)C1CNc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.33
CPB2 Q96IY4 1/20 0.33
BCHE P06276 1/20 0.32
KCNH2 Q12809 2/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
AGTR1 P30556 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
SCHEMBL7948256 0.97 CPB2 (0.36) F2CPB2BCHEKCNH2CYP2D6
SCHEMBL7969135 0.76 BCHE (0.38) F2BCHEKCNH2CYP2D6SLC6A2
SCHEMBL7951901 0.75 CTSL (0.32) CPB2
SCHEMBL7986076 0.75 HDAC1 (0.36) F2BCHEKCNH2CYP2D6SLC6A2
SCHEMBL7944087 0.75 BCHE (0.37) BCHEKCNH2CYP2D6SLC6A2SLC6A4
SCHEMBL7945088 0.73 HDAC1 (0.38) F2BCHEKCNH2CYP2D6SLC6A2
SCHEMBL3118297 0.72 MC4R (0.48)
SCHEMBL3118314 0.72 MC4R (0.48)
SCHEMBL7947140 0.71 PKM (0.37) F2CYP2D6
SCHEMBL7949797 0.70 F2 (0.34) F2CYP2D6

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
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed