SCHEMBL19488792

SCHEMBL19488792

CCCNCc1nc2ccc(C#Cc3ccc(-c4nc([C@@H]5CCCN5)[nH]c4CC)cc3)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.39
AAK1 Q2M2I8 1/20 0.30
TGFBR1 P36897 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
SCHEMBL19488580 0.92 SCN10A (0.37) SCN10A
SCHEMBL19488791 0.89 SCN10A (0.34) SCN10A
SCHEMBL10202381 0.87 SCN10A (0.51) SCN10AAAK1
SCHEMBL19488592 0.81 SCN10A (0.41) SCN10A
SCHEMBL16405097 0.81 SCN10A (0.43) SCN10A
SCHEMBL16938792 0.81 SCN10A (0.43) SCN10A
SCHEMBL19488290 0.81 SCN10A (0.37) SCN10AAAK1TGFBR1
SCHEMBL19488496 0.80 SCN10A (0.43) SCN10A
SCHEMBL19488603 0.79 SCN10A (0.40) SCN10A
SCHEMBL10202385 0.78 SCN10A (0.48) SCN10A

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