SCHEMBL20221259

SCHEMBL20221259

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

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.43
▸ SCN10A Q9Y5Y9 5/20 0.38
▸ SCN5A Q14524 2/20 0.38
▸ NLN Q9BYT8 2/20 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
SCHEMBL10058115 0.92 SCN10A (0.42) SCN10ASCN5ANLN
SCHEMBL13294155 0.92 SCN10A (0.42) SCN10ASCN5ANLN
SCHEMBL15443565 0.84 CYP2A6 (0.47) CYP2A6SCN10ASCN5ANLN
SCHEMBL15105893 0.84 SCN10A (0.39) SCN10ASCN5ANLN
SCHEMBL19324126 0.83 TRPV1 (0.42) SCN10ASCN5ANLN
SCHEMBL18480460 0.83 MASP2 (0.51) —
Hydrochloric Acid SCHEMBL18438825 0.81 MASP2 (0.50) —
SCHEMBL19388182 0.81 SCN10A (0.53) SCN10ASCN5ANLN
SCHEMBL15111977 0.79 MMP1 (0.39) —
SCHEMBL20054551 0.79 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
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 — — EP disclosed
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