SCHEMBL24975787

SCHEMBL24975787

CC(=N)N(Cc1ccc2nc(C=O)ccc2c1)C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 3/20 0.39
KCNH2 Q12809 2/20 0.35
SCN9A Q15858 2/20 0.32
PIK3CD O00329 1/20 0.32
F2R P25116 3/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
F10 P00742 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
SCHEMBL31428457 0.92 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KCNH2SCN9A
SCHEMBL31428702 0.84 NPC1 (0.39) SLC6A2SLC6A4SLC6A3SCN9AALDH1A1
SCHEMBL31428800 0.81 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KCNH2F10
SCHEMBL24975790 0.81 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KCNH2F10
SCHEMBL31428673 0.77 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2PIK3CD
SCHEMBL24975620 0.77 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2PIK3CD
SCHEMBL31428473 0.71 MAPT (0.37) SLC6A2SLC6A4SLC6A3KCNH2MEN1
SCHEMBL30163473 0.70 NR1H4 (0.38) SLC6A2SLC6A4SLC6A3KCNH2SCN9A
SCHEMBL24975808 0.69 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3KCNH2KMT2A
SCHEMBL24977045 0.69 HRH3 (0.45) ALDH1A1

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-2023008577-A1 RAS/RAF BINDING INHIBITOR COMPOUND 国立大学法人神戸大学 2023-02-02 WO disclosed