SCHEMBL26465816

SCHEMBL26465816

CC(C(=O)NC(C)(C)C)N1C2CC1CN(CC(=O)Nc1ccc(F)c(OC(F)F)c1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 2/20 0.39
DRD4 P21917 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
GLA P06280 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
WNT3A P56704 1/20 0.35
ALOX15 P16050 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL26465696 0.87 CACNA1H (0.44) ALDH1A1KDM4EDRD4TMEM97SIGMAR1
SCHEMBL26465823 0.86 HPGD (0.52) KDM4EL3MBTL1HPGDKMT2AMEN1
SCHEMBL26466596 0.82 CACNA1H (0.40) ALDH1A1KDM4EDRD4TMEM97SIGMAR1
SCHEMBL26465821 0.79 CACNA1H (0.41) WNT3A
SCHEMBL26466608 0.78 CACNA1H (0.42) ALDH1A1KDM4EDRD4TMEM97SIGMAR1
SCHEMBL26465708 0.77 CACNA1H (0.49) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL26465703 0.76 CACNA1H (0.40) ALDH1A1KDM4EDRD4TMEM97SIGMAR1
SCHEMBL26083795 0.75 EPHX2 (0.48) ALDH1A1KDM4EDRD4TMEM97SIGMAR1
SCHEMBL26465692 0.75 CACNA1H (0.45) ALDH1A1KDM4EL3MBTL1HPGDGLA
SCHEMBL26465812 0.73 CACNA1H (0.47) ALDH1A1KDM4EHPGDGLATDP1

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