SCHEMBL24655669

SCHEMBL24655669

CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4ccc5ccc6ccccc6c5c34)cc21

nearest known ligand 0.30

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
SLC6A2 P23975 1/20 0.30
CHRNB4 P30926 1/20 0.30
SLC6A4 P31645 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CHRND Q07001 1/20 0.30
PDK2 Q15119 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL17081188 0.97 CHRNA1 (0.31) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL24658054 0.93 CRHR1 (0.31) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL24655699 0.93 PDK2 (0.31) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL18383237 0.92 CRHR1 (0.31) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL24657955 0.90 CDK4 (0.31) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL20435188 0.90 PDK2 (0.33) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL20435101 0.89 PDK2 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL30450031 0.89 PDK2 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL17080388 0.89 PDK2 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL17081207 0.89 PDK2 (0.34) 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