SCHEMBL24655668

SCHEMBL24655668

CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccc4ccc5ccc6ccccc6c5c4c3)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 2/20 0.34
CHRNG P07510 2/20 0.34
CHRNB1 P11230 2/20 0.34
CHRNB2 P17787 2/20 0.34
SLC6A2 P23975 2/20 0.34
CHRNB4 P30926 2/20 0.34
SLC6A4 P31645 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA4 P43681 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CHRND Q07001 2/20 0.34
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
PDK2 Q15119 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
LPL P06858 1/20 0.30
LIPG Q9Y5X9 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
SCHEMBL24658064 0.96 CHRNA1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL24657959 0.95 CHRNA1 (0.34) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL24655247 0.94 CHRNA1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL24658059 0.92 CDK4 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL24657114 0.91 CHRNA1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL24655243 0.91 CDK4 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL26059878 0.91 CHRNA1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL23224746 0.90 CHRNA1 (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL23224742 0.90 HSD17B1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL24655255 0.89 LPL (0.33) 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