SCHEMBL26060975

SCHEMBL26060975

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4c6ccccc6ccc54)cc3)c3cccc(-c4cccc5ccccc45)c3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRND Q07001 1/20 0.35
MCL1 Q07820 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 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
SCHEMBL26059394 0.97 CHRNB4 (0.33) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL21123726 0.97 MCL1 (0.38) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL24919726 0.96 CHRNB4 (0.37) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL25089633 0.96 ENPP1 (0.34) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL27048473 0.95 CHRNA1 (0.32) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL26277707 0.95 CHRNA1 (0.31) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL26060026 0.95 CA12 (0.34) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL26279202 0.95 CHRNA1 (0.31) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL27048449 0.95 CA12 (0.34) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL23224978 0.95 CHRNB4 (0.34) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4235829-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-08-30 EP disclosed