SCHEMBL24656291

SCHEMBL24656291

CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5ccc6ccc7ccccc7c6c45)cc3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRND Q07001 1/20 0.33
ENPP1 P22413 2/20 0.33
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
ENPP3 O14638 1/20 0.33
CHRNA7 P36544 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32

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
SCHEMBL24656288 0.96 CHRNB4 (0.35) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL24658065 0.94 PDK2 (0.30)
SCHEMBL24656282 0.94 CDK4 (0.32) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL24656891 0.92 CHRNB4 (0.33) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL17740628 0.92 ENPP1 (0.37) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL24656346 0.90 CHRNB4 (0.33) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL21206212 0.90 MCL1 (0.39) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL24658063 0.89 CHRNB4 (0.35) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL26060789 0.89 CYP1A2 (0.34)
SCHEMBL25089181 0.89 CA12 (0.36) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1

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