SCHEMBL7980528

SCHEMBL7980528

Cc1nnc(CN(CC2CCCCC2)C(=O)C(=O)C2CNc3cc(F)ccc32)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PKM P14618 8/20 0.33
OXTR P30559 1/20 0.30
AVPR1A P37288 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
SCHEMBL7975471 0.83 ALDH1A1 (0.34) PKMOXTRAVPR1A
SCHEMBL7980536 0.81 PTGDR2 (0.35) PKMOXTRAVPR1A
SCHEMBL7982833 0.81 PKM (0.33) PKMOXTRAVPR1A
SCHEMBL7969219 0.80 KMT2A (0.34) PKMOXTRAVPR1A
SCHEMBL7979149 0.78 NPC1 (0.39)
SCHEMBL7982224 0.78 RAB9A (0.34) PKM
SCHEMBL7985830 0.77 POLB (0.34) OXTRAVPR1A
SCHEMBL7979470 0.75 MAPK1 (0.36)
SCHEMBL7969240 0.74 ALDH1A1 (0.36)
SCHEMBL4306639 0.74 MAPK14 (0.37) PKM

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