SCHEMBL26617818

SCHEMBL26617818

CCOC(=O)c1cc2ccncc2nc1N1CCCC(F)(F)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ SCN10A Q9Y5Y9 12/20 0.42
▸ OPRK1 P41145 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL30681905 1.00 MEN1 (0.44) MEN1KMT2AL3MBTL1SCN10AOPRK1
SCHEMBL26617735 0.92 OPRK1 (0.44) MEN1KMT2AL3MBTL1SCN10AOPRK1
SCHEMBL30681991 0.92 OPRK1 (0.44) MEN1KMT2AL3MBTL1SCN10AOPRK1
SCHEMBL31105737 0.87 MEN1 (0.47) MEN1KMT2AL3MBTL1OPRK1KDM4E
SCHEMBL31345636 0.85 SCN10A (0.42) SCN10A
SCHEMBL26617707 0.85 SCN10A (0.42) SCN10A
SCHEMBL31105769 0.84 KDM4E (0.48) MEN1KMT2AL3MBTL1SCN10AOPRK1
SCHEMBL31105854 0.83 OPRK1 (0.44) MEN1KMT2AL3MBTL1SCN10AOPRK1
SCHEMBL26617491 0.83 THRB (0.44) MEN1KMT2AL3MBTL1SCN10AOPRK1
SCHEMBL26617785 0.83 OPRK1 (0.47) MEN1KMT2AL3MBTL1SCN10AOPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4514789-A1 <SUP2/>? <SUB2/>?V?BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA1.8 FOR THE TREATMENT OF PAIN SiteOne Therapeutics, Inc. (US) 2025-03-05 — — EP disclosed
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 — — WO disclosed
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 — — WO disclosed
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