SCHEMBL10201772

SCHEMBL10201772

C(#Cc1ccc2nc([C@@H]3CC4CC4N3)[nH]c2c1)c1ccc2c(ccc3nc([C@@H]4C[C@H]5C[C@H]5N4)[nH]c32)c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPY5R Q15761 1/20 0.31

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
SCHEMBL13221474 1.00 SCN10A (0.32) SCN10ANPC1RAB9ANPY5R
SCHEMBL13087621 0.94
SCHEMBL14641545 0.89
SCHEMBL13221478 0.89
SCHEMBL883267 0.87
SCHEMBL12404445 0.86 AAK1 (0.40) SCN10ANPC1RAB9ANPY5R
SCHEMBL12373600 0.86 TYMS (0.33)
SCHEMBL10200241 0.86 TYMS (0.33)
SCHEMBL16229728 0.83
SCHEMBL19488499 0.82

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398794-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-01-16 EP disclosed
WO-2012018325-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 WO disclosed