SCHEMBL25910087

SCHEMBL25910087

CC(C)NC1CCN(C(=O)[C@H]2N[C@@H]2C2CCC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.33
CYP2D6 P10635 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
EPHX1 P07099 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
KDM5A P29375 1/20 0.31
THRB P10828 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
OPRK1 P41145 1/20 0.30

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
SCHEMBL25910088 0.95 EPHX2 (0.35) EPHX2CYP2D6HRH3EPHX1SMN1; SMN2
SCHEMBL25910089 0.74 PREP (0.33)
SCHEMBL25909959 0.74 HRH3 (0.43) CYP2D6HRH3
SCHEMBL25910100 0.74 HRH3 (0.43) CYP2D6HRH3
SCHEMBL25910077 0.73 KCNQ3 (0.31)
SCHEMBL25910078 0.73 KCNQ3 (0.31)
SCHEMBL26287569 0.72 PLAT (0.34)
SCHEMBL26287162 0.72 CHRNB2 (0.30)
SCHEMBL26294984 0.72 CHRNB2 (0.30)
SCHEMBL28308937 0.71 ALDH1A1 (0.53) EPHX2CYP2D6HRH3EPHX1SMN1; SMN2

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-2023141300-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-07-27 WO disclosed