SCHEMBL24975810

SCHEMBL24975810

CC(C)(C)OC(=O)N(Cc1ccc2nc(C=O)cc(-c3ccccc3-c3ccccc3)c2c1)C1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.35
HSD11B1 P28845 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
SLC6A4 P31645 8/20 0.34
SLC6A2 P23975 7/20 0.34
SLC6A3 Q01959 5/20 0.34
CYP2D6 P10635 4/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
CHRM3 P20309 1/20 0.33
KCNH2 Q12809 1/20 0.33
EZH2 Q15910 1/20 0.33
HTR2C P28335 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
SLC6A9 P48067 2/20 0.31
SLC6A5 Q9Y345 1/20 0.31
KMT2A Q03164 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
SCHEMBL31428558 1.00 GRM2 (0.35) GRM2HSD11B1NR1H4SLC6A4SLC6A2
SCHEMBL31428465 0.94 GRM2 (0.39) GRM2HSD11B1NR1H4SLC6A4SLC6A2
SCHEMBL31428746 0.91 GRM2 (0.35) GRM2HSD11B1NR1H4SLC6A4SLC6A2
SCHEMBL24975804 0.91 GRM2 (0.35) GRM2HSD11B1NR1H4SLC6A4SLC6A2
SCHEMBL31428539 0.91 GRM2 (0.35) GRM2NR1H4
SCHEMBL31428733 0.90 SLC6A2 (0.36) GRM2HSD11B1NR1H4SLC6A4SLC6A2
SCHEMBL24975808 0.89 SLC6A2 (0.39) GRM2HSD11B1NR1H4SLC6A4SLC6A2
SCHEMBL24975799 0.87 REN (0.33) GRM2HSD11B1NR1H4SLC6A4SLC6A2
SCHEMBL31428796 0.87 REN (0.33) GRM2HSD11B1NR1H4SLC6A4SLC6A2
SCHEMBL31428920 0.85 GRM2 (0.38) GRM2KCNH2

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