SCHEMBL30967533

SCHEMBL30967533

[2H]C([2H])(Br)C([2H])([2H])N1CCn2c(cc3c(OCC(F)(F)F)nccc32)C1=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.34
▸ CYP3A4 P08684 1/20 0.31
▸ SCN9A Q15858 1/20 0.30

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
SCHEMBL30967583 0.90 HRH3 (0.32) HRH3SCN9A
SCHEMBL30967486 0.90 HRH3 (0.32) HRH3CYP3A4SCN9A
SCHEMBL30967529 0.90 HRH3 (0.32) HRH3SCN9A
SCHEMBL30967541 0.86 HRH3 (0.30) HRH3
SCHEMBL30967485 0.84 SCN9A (0.35) HRH3CYP3A4SCN9A
Hydrochloric Acid SCHEMBL30967504 0.83 SCN9A (0.34) HRH3SCN9A
SCHEMBL30967631 0.76 SCN9A (0.34) SCN9A
SCHEMBL30967466 0.76 HRH3 (0.39) HRH3SCN9A
Hydrochloric Acid SCHEMBL30967494 0.75 SCN9A (0.33) SCN9A
SCHEMBL30967474 0.72 SCN9A (0.32) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4615838-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS Merck Patent GmbH (DE) 2025-09-17 — — EP disclosed
WO-2024099898-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-05-16 — — WO disclosed
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