SCHEMBL7948256

SCHEMBL7948256

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 10/20 0.36
F2 P00734 3/20 0.33
BCHE P06276 1/20 0.32
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
PRSS1 P07477 1/20 0.31
ACE P12821 1/20 0.31
DPP8 Q6V1X1 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 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
SCHEMBL7992034 0.97 F2 (0.33) CPB2F2BCHECYP2D6SLC6A2
SCHEMBL7969135 0.75 BCHE (0.38) F2BCHECYP2D6SLC6A2SLC6A4
SCHEMBL7986076 0.74 HDAC1 (0.36) F2BCHECYP2D6SLC6A2SLC6A4
SCHEMBL7944087 0.74 BCHE (0.37) BCHECYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7951901 0.73 CTSL (0.32) CPB2
SCHEMBL7945088 0.73 HDAC1 (0.38) F2BCHECYP2D6SLC6A2SLC6A4
SCHEMBL3124488 0.73 MC4R (0.47)
SCHEMBL7947140 0.70 PKM (0.37) F2CYP2D6
SCHEMBL3118314 0.70 MC4R (0.48)
SCHEMBL3118297 0.70 MC4R (0.48)

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
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed