SCHEMBL24658201

SCHEMBL24658201

CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5c(ccc6ccc7ccccc7c65)c4)cc3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRND Q07001 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
PIM1 P11309 1/20 0.30
ERBB2 P04626 1/20 0.30
CYP1A2 P05177 1/20 0.30
FYN P06241 1/20 0.30
MAOA P21397 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
SCHEMBL24656966 0.98 CHRNA1 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL24657962 0.97 ERBB2 (0.31) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL24658171 0.96 CHRNA1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL24658181 0.96 CHRNA1 (0.31) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL24658178 0.96 HSD17B1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL24658204 0.96 HSD17B1 (0.30) ESR1ESR2ERBB2CYP1A2FYN
SCHEMBL24658203 0.95 CA12 (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL26060658 0.95 LPL (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL24657508 0.94 CHRNA1 (0.31) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL23471872 0.93 ALDH1A1 (0.33) LPLLIPGESR1ESR2ERBB2

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