SCHEMBL26617491

SCHEMBL26617491

CCOC(=O)c1cc2ccc(C(F)(F)F)cc2nc1N1CCCC(F)(F)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.44
▸ SCN10A Q9Y5Y9 9/20 0.43
▸ OPRK1 P41145 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL26617785 0.93 OPRK1 (0.47) THRBSCN10AOPRK1ALDH1A1KDM4E
SCHEMBL31105769 0.86 KDM4E (0.48) SCN10AOPRK1ALDH1A1KDM4EMEN1
SCHEMBL31105737 0.85 MEN1 (0.47) OPRK1ALDH1A1KDM4ENPSR1MEN1
SCHEMBL26617671 0.85 SCN10A (0.44) SCN10A
SCHEMBL31105854 0.84 OPRK1 (0.44) SCN10AOPRK1ALDH1A1KDM4EMEN1
SCHEMBL26731562 0.83 SCN10A (0.41) SCN10AKDM4E
SCHEMBL30681905 0.83 MEN1 (0.44) SCN10AOPRK1ALDH1A1KDM4EMEN1
SCHEMBL26617818 0.83 MEN1 (0.44) SCN10AOPRK1ALDH1A1KDM4EMEN1
SCHEMBL30681956 0.83 MEN1 (0.45) SCN10AOPRK1ALDH1A1KDM4EMEN1
SCHEMBL26618040 0.83 MEN1 (0.45) SCN10AOPRK1ALDH1A1KDM4EMEN1

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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