SCHEMBL26466772

SCHEMBL26466772

CC1(C)CC(CN2C[C@@H]3C[C@H]2CN3CC(=O)NC23CC4CC(CC(C4)C2)C3)CCO1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CACNA1H O95180 5/20 0.39
EPHX1 P07099 3/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 2/20 0.36
ATM Q13315 1/20 0.36
PSMB5 P28074 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL26465978 0.84 KDM4E (0.45) KDM4EALDH1A1CACNA1HEPHX1MEN1
SCHEMBL26466771 0.77 MEN1 (0.46) KDM4EALDH1A1CACNA1HEPHX1MEN1
SCHEMBL26466599 0.73 CACNA1H (0.70) KDM4EALDH1A1CACNA1HKMT2AEPHX2
SCHEMBL26466781 0.73 KDM4E (0.45) KDM4EALDH1A1CACNA1HEPHX1EPHX2
SCHEMBL26466910 0.71 KDM4E (0.46) KDM4EALDH1A1CACNA1HEPHX1EPHX2
SCHEMBL26466205 0.70 CACNA1H (0.68) KDM4EALDH1A1CACNA1HEPHX1KMT2A
SCHEMBL26466782 0.70 KDM4E (0.42) KDM4EALDH1A1CACNA1HEPHX1PSMB5
SCHEMBL26466783 0.69 ALDH1A1 (0.43) KDM4EALDH1A1CACNA1HMEN1KMT2A
SCHEMBL26466619 0.69 ALDH1A1 (0.43) KDM4EALDH1A1CACNA1HMEN1KMT2A
SCHEMBL26466911 0.68 CACNA1H (0.46) KDM4EALDH1A1CACNA1HEPHX2ATM

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-2023192669-A1 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING A PIPERAZINE OR 1,4-DIAZEPANE CORE AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 WO disclosed