SCHEMBL20054552

SCHEMBL20054552

NCc1ncc(-c2ccc3cc(-c4ccc5cc(-c6cnc(CN)[nH]6)ccc5c4)ccc3c2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLN Q9BYT8 2/20 0.43
SCN10A Q9Y5Y9 6/20 0.40
PDE10A Q9Y233 1/20 0.39
SCN5A Q14524 2/20 0.38
PYGL P06737 2/20 0.38
PADI1 Q9ULC6 1/20 0.37
PADI3 Q9ULW8 1/20 0.37
PADI4 Q9UM07 1/20 0.37
PADI2 Q9Y2J8 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL12648128 0.97 NLN (0.41) NLNSCN10APDE10ASCN5APADI1
SCHEMBL20054471 0.95 NLN (0.42) NLNSCN10APDE10ASCN5APYGL
SCHEMBL20054430 0.87 AAK1 (0.41) NLN
SCHEMBL20054454 0.82 SCN10A (0.36) NLNSCN10APDE10ASCN5APYGL
SCHEMBL20054547 0.81 CYP2A6 (0.38) NLNSCN10APYGLCYP11B1CYP11B2
SCHEMBL20054582 0.78 SHBG (0.40) SCN10APDE10ASCN5A
SCHEMBL20054383 0.78 PDE10A (0.37) SCN10APDE10ASCN5A
SCHEMBL20054554 0.77 AAK1 (0.46) PDE10A
SCHEMBL20054529 0.77 AAK1 (0.46) PDE10A
SCHEMBL20055405 0.77 TRPV1 (0.46) SCN10APDE10ASCN5A

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