SCHEMBL25878165

SCHEMBL25878165

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4oc6ccccc6c45)cc3)c3cccc(-c4ccc5ccccc5c4)c3)cc21

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
HCRTR1 O43613 1/20 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

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
SCHEMBL25876693 0.95 CHRNA1 (0.32) CASP3SENP7SENP6HCRTR1CHRNA1
SCHEMBL25876625 0.94 CHRNA1 (0.33) CASP3SENP7SENP6HCRTR1CHRNA1
SCHEMBL23224688 0.94 CASP3 (0.32) CASP3SENP7SENP6HCRTR1CHRNA1
SCHEMBL26037830 0.93 CASP3 (0.33) CASP3SENP7SENP6CHRNA1CHRNG
SCHEMBL25878241 0.93 CHRNA1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL25875792 0.93 CASP3 (0.32) CASP3SENP7SENP6HCRTR1CHRNA1
SCHEMBL25878160 0.93 PLA2G2A (0.31)
SCHEMBL27011306 0.92 CASP3 (0.32) CASP3SENP7SENP6
SCHEMBL24540048 0.92 CASP3 (0.32) CASP3SENP7SENP6HCRTR1
SCHEMBL25876696 0.91 CHRNA1 (0.33) CASP3SENP7SENP6HCRTR1CHRNA1

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