SCHEMBL20054827

SCHEMBL20054827

CC(C)Cc1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H](NSC(C)(C)C)C(C)C)[nH]4)cc3)cc2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 6/20 0.41
▸ SCN5A Q14524 2/20 0.41
▸ NLN Q9BYT8 2/20 0.34

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
SCHEMBL20054316 0.90 SCN10A (0.35) SCN10ANLN
SCHEMBL20054260 0.90 SCN10A (0.35) SCN10ANLN
SCHEMBL20054227 0.80 — —
SCHEMBL19388182 0.76 SCN10A (0.53) SCN10ASCN5ANLN
SCHEMBL15125106 0.70 SCN10A (0.37) SCN10ASCN5A
SCHEMBL19387887 0.69 SCN10A (0.33) SCN10ASCN5A
SCHEMBL19388216 0.69 SCN10A (0.33) SCN10ASCN5A
SCHEMBL19388350 0.69 SCN10A (0.33) SCN10ASCN5A
SCHEMBL16408060 0.69 MMP1 (0.47) —
SCHEMBL15116581 0.69 SCN10A (0.33) SCN10ASCN5A

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-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 — — EP disclosed
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