SCHEMBL28949545

SCHEMBL28949545

CC(C)([Se]c1ccccc1)C1CCC(c2ccccc2)=N1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31

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
SCHEMBL22546693 0.68 NISCH (0.41) CHRNB4CHRNA3
SCHEMBL22546622 0.68 NISCH (0.41) CHRNB4CHRNA3
SCHEMBL28825073 0.67 CHRNB4 (0.31) CHRNB4CHRNA3
SCHEMBL28825055 0.66 CHRNB4 (0.33) CHRNB4CHRNA3
SCHEMBL29437712 0.65 NISCH (0.39) CHRNB4CHRNA3
SCHEMBL25323166 0.65 NOS1 (0.49) CHRNB4CHRNA3
SCHEMBL25920105 0.65 NOS1 (0.49) CHRNB4CHRNA3
SCHEMBL25323163 0.65 NOS1 (0.49) CHRNB4CHRNA3
SCHEMBL21094395 0.64 ALDH1A1 (0.38) —
SCHEMBL28699058 0.64 NPC1 (0.40) CHRNB4CHRNA3

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
CN-114805163-B Method for synthesizing organic selenium compound 西南石油大学 2024-06-21 — — CN disclosed
CN-114805163-A Synthetic method of organic selenium compound 西南石油大学 2022-07-29 — — CN disclosed
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