SCHEMBL19488781

SCHEMBL19488781

C#Cc1ccc2[nH]c([C@@H]3CC[C@H](C)N3)nc2c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL12373613 0.80 TYMS (0.33)
SCHEMBL24463099 0.79 NPC1 (0.42) NPC1RAB9A
SCHEMBL12798759 0.78 SCN10A (0.52) SCN10A
SCHEMBL12943567 0.77 SCN10A (0.48) SCN10ANPC1RAB9A
SCHEMBL19488560 0.73 SCN10A (0.32) SCN10A
SCHEMBL13221481 0.70 NPC1 (0.36) SCN10ANPC1RAB9A
SCHEMBL10201149 0.70 NPC1 (0.36) SCN10ANPC1RAB9A
SCHEMBL889017 0.70 ALDH1A1 (0.43) NPC1RAB9A
SCHEMBL18506214 0.68 SCN10A (0.39) SCN10ANPC1RAB9A
SCHEMBL16948488 0.68 SCN10A (0.39) SCN10ANPC1RAB9A

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