SCHEMBL7980536

SCHEMBL7980536

O=C(O)CN(CC1CCCCC1)C(=O)C(=O)C1CNc2cc(F)ccc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.35
PKM P14618 2/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
OPRM1 P35372 4/20 0.31
OPRD1 P41143 4/20 0.31
PTGDR Q13258 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
OXTR P30559 1/20 0.30
AVPR1A P37288 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD11B1 P28845 1/20 0.30
SLC6A9 P48067 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
SCHEMBL7982833 0.89 PKM (0.33) PKMRAB9ANPC1OPRM1OPRD1
SCHEMBL7982224 0.88 RAB9A (0.34) PKMRAB9AOPRM1OPRD1HSD11B1
SCHEMBL7979149 0.88 NPC1 (0.39) RAB9ANPC1HDAC1HDAC6SMN1; SMN2
SCHEMBL7969219 0.87 KMT2A (0.34) PKMOPRM1OPRD1OXTRAVPR1A
SCHEMBL7986076 0.85 HDAC1 (0.36) PTGDR2PKMSLC6A2SLC6A4HDAC1
SCHEMBL7971749 0.85 KDM4E (0.35) PTGDR2POLBSLC6A9
SCHEMBL7969240 0.84 ALDH1A1 (0.36) RAB9ANPC1HDAC1HDAC6SMN1; SMN2
SCHEMBL7979470 0.83 MAPK1 (0.36) RAB9ANPC1
SCHEMBL7980528 0.81 PKM (0.33) PKMOXTRAVPR1A
SCHEMBL7975471 0.81 ALDH1A1 (0.34) PKMRAB9AOXTRAVPR1A

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