SCHEMBL24657498

SCHEMBL24657498

CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5ccc6ccc7ccccc7c6c5c4)cc3)c3ccccc3-c3ccc4ccccc4c3)cccc21

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
SLC6A4 P31645 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRND Q07001 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL24658181 0.96 CHRNA1 (0.31) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL26060187 0.92 LPL (0.31) LPLLIPGHDAC4HDAC2HDAC8
SCHEMBL24658201 0.92 CHRNA1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL24657982 0.91
SCHEMBL26060660 0.91 LPL (0.31) LPLLIPGHDAC4HDAC2HDAC8
SCHEMBL24656938 0.91 GPR84 (0.31) HDAC4HDAC2HDAC8
SCHEMBL26002241 0.91 CA12 (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL26002196 0.91 CA12 (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL24658196 0.91 CHRNA1 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL26002104 0.91 CA12 (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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-4243100-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed
WO-2022177374-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2022-08-25 WO disclosed