SCHEMBL7979068

SCHEMBL7979068

CCOC(=O)CN(C(=O)C(=O)C1CNc2cc(OC)ccc21)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40
PYGL P06737 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A9 P48067 1/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7947322 0.89 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL7944575 0.85 ALDH1A1 (0.40) PDE2APDE3BPDE3AP2RY12PYGL
SCHEMBL7951889 0.81 KMT2A (0.41) PDE3BPDE3AALDH1A1KDM4EHPGD
SCHEMBL7985982 0.81 KMT2A (0.40) ALDH1A1KDM4EHPGDMAPTL3MBTL1
SCHEMBL7981921 0.80 TSHR (0.40) KDM4ETSHRMAPTUSP2SMN1; SMN2
SCHEMBL7945535 0.79 KDM4E (0.41) ALDH1A1KDM4ETSHRMAPTNPSR1
SCHEMBL7969242 0.79 TP53 (0.41) ALDH1A1KDM4ETSHRMAPTL3MBTL1
SCHEMBL7946774 0.78 SLC6A9 (0.35) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL7945107 0.77 POLB (0.36) ALDH1A1MAPTL3MBTL1
SCHEMBL7948614 0.77 POLB (0.40) ALDH1A1KDM4EHPGDHSD17B10MAPT

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