SCHEMBL20054471

SCHEMBL20054471

NCc1ncc(-c2ccc3cc4cc(-c5cnc(CN)[nH]5)ccc4cc3c2)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NLN Q9BYT8 2/20 0.42
SCN10A Q9Y5Y9 7/20 0.39
PDE10A Q9Y233 1/20 0.38
SCN5A Q14524 2/20 0.38
PYGL P06737 2/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
RIPK1 Q13546 1/20 0.35

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
SCHEMBL20054552 0.95 NLN (0.43) NLNSCN10APDE10ASCN5APYGL
SCHEMBL12648128 0.92 NLN (0.41) NLNSCN10APDE10ASCN5A
SCHEMBL20054547 0.85 CYP2A6 (0.38) NLNSCN10APYGLCYP11B1CYP11B2
SCHEMBL20054430 0.83 AAK1 (0.41) NLN
SCHEMBL20054454 0.81 SCN10A (0.36) NLNSCN10APDE10ASCN5APYGL
SCHEMBL20054582 0.77 SHBG (0.40) SCN10APDE10ASCN5A
SCHEMBL20055405 0.76 TRPV1 (0.46) SCN10APDE10ASCN5A
SCHEMBL25834553 0.75 SCN10A (0.57) SCN10ASCN5ARIPK1
SCHEMBL2562957 0.75 PDE10A (0.64) PDE10A
SCHEMBL19883270 0.75 NLN (0.45) NLN

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-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed