SCHEMBL19388182

SCHEMBL19388182

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 7/20 0.53
▸ SCN5A Q14524 2/20 0.53
▸ NLN Q9BYT8 2/20 0.41
▸ SSTR1 P30872 1/20 0.38

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
SCHEMBL13294155 0.88 SCN10A (0.42) SCN10ASCN5ANLNSSTR1
SCHEMBL10058115 0.88 SCN10A (0.42) SCN10ASCN5ANLNSSTR1
SCHEMBL20221259 0.81 CYP2A6 (0.43) SCN10ASCN5ANLN
SCHEMBL15105893 0.80 SCN10A (0.39) SCN10ASCN5ANLN
SCHEMBL19324126 0.80 TRPV1 (0.42) SCN10ASCN5ANLN
SCHEMBL18480460 0.79 MASP2 (0.51) SSTR1
Hydrochloric Acid SCHEMBL18438825 0.78 MASP2 (0.50) SSTR1
SCHEMBL20054827 0.76 SCN10A (0.41) SCN10ASCN5ANLN
SCHEMBL1501814 0.76 PDE10A (0.60) SCN10ASCN5A
SCHEMBL20054551 0.75 NLN (0.48) SCN10ASCN5ANLN

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
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 — — US disclosed
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