SCHEMBL26465836

SCHEMBL26465836

CC(C)(C)C(O)CN1C2CC1CN(CC(=O)NC13CC4CC(CC(C4)C1)C3)C2

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 10/20 0.56
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PSMB5 P28074 1/20 0.40
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL26465830 0.83 CACNA1H (0.73) CACNA1HALDH1A1KDM4EPSMB5
SCHEMBL26463801 0.78 CACNA1H (0.71) CACNA1HALDH1A1KDM4E
SCHEMBL26465831 0.75 ALDH1A1 (0.50) CACNA1HALDH1A1KDM4EPSMB5
SCHEMBL26466000 0.74 CACNA1H (0.58) CACNA1HALDH1A1KDM4E
SCHEMBL26465834 0.73 MEN1 (0.48) CACNA1HALDH1A1KDM4EPSMB5EPHX1
SCHEMBL26466013 0.73 CACNA1H (0.57) CACNA1HALDH1A1KDM4E
SCHEMBL26466010 0.73 CACNA1H (0.57) CACNA1HALDH1A1KDM4E
SCHEMBL26498849 0.72 CACNA1H (1.00) CACNA1HALDH1A1KDM4EPSMB5EPHX1
SCHEMBL26465843 0.72 ALDH1A1 (0.49) CACNA1HALDH1A1KDM4EPSMB5EPHX1
SCHEMBL26466599 0.72 CACNA1H (0.70) CACNA1HALDH1A1KDM4EEPHX2

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