SCHEMBL25875794

SCHEMBL25875794

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4ccc5oc6ccccc6c5c4c3)cc21

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
ABCG2 Q9UNQ0 2/20 0.31
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
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL25875875 0.96 CA12 (0.32) ENPP3ENPP1ABCG2
SCHEMBL25876627 0.94 TDP1 (0.33) ENPP3ENPP1ABCG2CHRNA1CHRNG
SCHEMBL25875462 0.94 ENPP3 (0.32) ENPP3ENPP1ABCG2CHRNA1CHRNG
SCHEMBL25747372 0.93 ENPP1 (0.31) ENPP3ENPP1ABCG2CHRNA1CHRNG
SCHEMBL17126355 0.93 ENPP1 (0.33) ENPP3ENPP1CHRNA1CHRNGCHRNB1
SCHEMBL25876695 0.93 TDP1 (0.32) ABCG2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL25875690 0.92 ABCG2 (0.31) ABCG2
SCHEMBL25875801 0.92 ALK (0.32) TDP1L3MBTL1
SCHEMBL25875877 0.92 CHRNA1 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL23511900 0.91 CHRNA1 (0.32) ENPP3ENPP1ABCG2CHRNA1CHRNG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed