SCHEMBL7985830

SCHEMBL7985830

COCc1noc(CN(CC2CCCCC2)C(=O)C(=O)C2CNc3cc(F)ccc32)n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
ROCK2 O75116 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
OXTR P30559 1/20 0.31
AVPR1A P37288 1/20 0.31
GRK2 P25098 1/20 0.30
GRK5 P34947 1/20 0.30
GRK1 Q15835 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
SCHEMBL7989450 0.91 ALDH1A1 (0.34) POLBROCK2MAPTALDH1A1
SCHEMBL7975471 0.81 ALDH1A1 (0.34) LMNATDP1ALDH1A1OXTRAVPR1A
SCHEMBL7980528 0.77 PKM (0.33) OXTRAVPR1A
SCHEMBL4315205 0.77 POLB (0.37) POLBROCK2MAPTALDH1A1GRK2
SCHEMBL7980536 0.76 PTGDR2 (0.35) POLBOXTRAVPR1A
SCHEMBL7982833 0.76 PKM (0.33) OXTRAVPR1A
SCHEMBL7969219 0.75 KMT2A (0.34) POLBTDP1OXTRAVPR1A
SCHEMBL7979470 0.75 MAPK1 (0.36) GRIN1GRIN2BALDH1A1
SCHEMBL7982224 0.73 RAB9A (0.34) ALDH1A1
SCHEMBL7979149 0.73 NPC1 (0.39) ALDH1A1

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