SCHEMBL19488795

SCHEMBL19488795

C=C1CCN[C@@H]1c1nc2ccc(C#Cc3ccc4c(c3)CCc3nc(C5CCCN5)[nH]c3-4)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.45
NPY5R Q15761 1/20 0.31
PARP1 P09874 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL10201775 0.92 SCN10A (0.52) SCN10ANPY5RPARP1NPC1RAB9A
SCHEMBL19488796 0.80 SCN10A (0.45) SCN10ANPY5RPARP1NPC1RAB9A
SCHEMBL12403407 0.80 SCN10A (0.55) SCN10ANPY5RPARP1NPC1RAB9A
SCHEMBL10201771 0.79 SCN10A (0.37) SCN10APARP1
SCHEMBL19488603 0.78 SCN10A (0.40) SCN10A
SCHEMBL19488602 0.78 SCN10A (0.42) SCN10ANPY5RNPC1RAB9A
SCHEMBL19488604 0.77 SCN10A (0.39) SCN10APARP1
SCHEMBL19488496 0.77 SCN10A (0.43) SCN10ANPC1RAB9A
SCHEMBL14758535 0.77 SCN10A (0.39) SCN10APARP1
SCHEMBL19488769 0.76 SCN10A (0.46) SCN10ANPY5RPARP1

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
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed