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SCHEMBL26053825

SCHEMBL26053825

CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)cccc21

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRNA1 P02708 1/20 0.32
▸ CHRNG P07510 1/20 0.32
▸ CHRNB1 P11230 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ CHRND Q07001 1/20 0.32
▸ HSD17B1 P14061 1/20 0.30
▸ HSD17B2 P37059 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
SCHEMBL26053815 0.95 CHRNA1 (0.30) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL26056595 0.95 CHRNA1 (0.31) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL26053873 0.94 — —
SCHEMBL26065624 0.92 PDK2 (0.31) —
SCHEMBL26053854 0.92 — —
SCHEMBL26065604 0.92 PDK2 (0.30) —
SCHEMBL26055647 0.91 CHRNA1 (0.31) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL26018454 0.91 CHRNA1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL26056586 0.90 — —
SCHEMBL26053819 0.89 PDK2 (0.30) —

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
WO-2023162947-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-08-31 — — WO disclosed
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