SCHEMBL24976089

SCHEMBL24976089

CC(C)(C)OC(=O)N(Cc1ccc2nc(C=O)ccc2c1)C1CCN(C2CNC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 3/20 0.36
KCNH2 Q12809 3/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR2A P28223 4/20 0.33
F10 P00742 3/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
CCR5 P51681 1/20 0.32
F2 P00734 1/20 0.32
KDM1A O60341 2/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL31428540 0.90 HTR2A (0.40) HSD11B1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL31428473 0.83 MAPT (0.37) HSD11B1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL31429027 0.79 F2R (0.34) HSD11B1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL31428890 0.79 F2R (0.34) HSD11B1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL31429018 0.79 HTR2A (0.42) HSD11B1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL24977051 0.76 CETP (0.33) HSD11B1KDM4ENPC1RAB9AKDM1A
SCHEMBL24975442 0.74 ALDH1A1 (0.35) HSD11B1SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL31428751 0.74 ALDH1A1 (0.35) HSD11B1SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL24975434 0.72 HRH3 (0.38) KDM4E
SCHEMBL30163473 0.71 NR1H4 (0.38) HSD11B1SLC6A2SLC6A4SLC6A3KCNH2

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