SCHEMBL26465817

SCHEMBL26465817

CC(C(=O)Nc1ccc(F)c(OC(F)F)c1)N1CC2CC(C1)N2CC(=O)NC1(C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 5/20 0.38
HSD11B1 P28845 1/20 0.34
HSD11B2 P80365 1/20 0.34
WNT3A P56704 2/20 0.32
IDO1 P14902 2/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
BACE1 P56817 2/20 0.32
TDO2 P48775 1/20 0.32
CIT O14578 1/20 0.31
GAK O14976 1/20 0.31
PRKX P51817 1/20 0.31
PRKCQ Q04759 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
HASPIN Q8TF76 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
BMP2K Q9NSY1 1/20 0.31
EPHX2 P34913 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
SCHEMBL26465703 0.87 CACNA1H (0.40) CACNA1HWNT3AEPHX2LMNA
SCHEMBL26465821 0.87 CACNA1H (0.41) CACNA1HHSD11B1HSD11B2WNT3AIDO1
SCHEMBL26464642 0.87 CACNA1H (0.44) CACNA1HIDO1LMNASMN1; SMN2
SCHEMBL26466912 0.83 CACNA1H (0.38) CACNA1HWNT3ABACE1EPHX2
SCHEMBL26465825 0.78 ALDH1A1 (0.44) CACNA1HLMNASMN1; SMN2
SCHEMBL26464489 0.77 CACNA1H (0.38) CACNA1HWNT3A
SCHEMBL26465693 0.76 CACNA1H (0.41) CACNA1HWNT3AEPHX2
SCHEMBL26465818 0.74 CACNA1H (0.42) CACNA1HLMNATP53SMN1; SMN2
SCHEMBL26467001 0.74 LTA4H (0.38) CACNA1HLMNATP53SMN1; SMN2
SCHEMBL26465696 0.74 CACNA1H (0.44) CACNA1H

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