SCHEMBL26465978

SCHEMBL26465978

CC1(C)CC(CN2C3CC2CN(CC(=O)NC24CC5CC(CC(C5)C2)C4)C3)CCO1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CACNA1H O95180 10/20 0.43
EPHX1 P07099 2/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PSMB5 P28074 1/20 0.37
EPHX2 P34913 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
SCHEMBL26466772 0.84 KDM4E (0.40) KDM4EALDH1A1CACNA1HEPHX1MEN1
SCHEMBL26465834 0.78 MEN1 (0.48) KDM4EALDH1A1CACNA1HEPHX1MEN1
SCHEMBL26465843 0.73 ALDH1A1 (0.49) KDM4EALDH1A1CACNA1HEPHX1MEN1
SCHEMBL26465830 0.72 CACNA1H (0.73) KDM4EALDH1A1CACNA1HKMT2APSMB5
SCHEMBL26465828 0.72 ALDH1A1 (0.48) KDM4EALDH1A1CACNA1HEPHX1MEN1
SCHEMBL26465836 0.70 CACNA1H (0.56) KDM4EALDH1A1CACNA1HEPHX1PSMB5
SCHEMBL4217027 0.69 ALDH1A1 (0.60) KDM4EALDH1A1CACNA1HEPHX1MEN1
SCHEMBL26463801 0.69 CACNA1H (0.71) KDM4EALDH1A1CACNA1HKMT2A
SCHEMBL26465831 0.69 ALDH1A1 (0.50) KDM4EALDH1A1CACNA1HPSMB5
SCHEMBL26466771 0.65 MEN1 (0.46) KDM4EALDH1A1CACNA1HEPHX1MEN1

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