SCHEMBL26465696

SCHEMBL26465696

CC(C)(C)NC(=O)CN1C2CC1CN(CC(=O)Nc1ccc(F)c(OC(F)F)c1)C2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 9/20 0.44
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.37
GLA P06280 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
DRD4 P21917 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL26465708 0.90 CACNA1H (0.49) CACNA1HALDH1A1KDM4EL3MBTL1
SCHEMBL26465692 0.88 CACNA1H (0.45) CACNA1HALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL26466596 0.88 CACNA1H (0.40) CACNA1HALDH1A1KDM4EHPGDGLA
SCHEMBL26465812 0.87 CACNA1H (0.47) CACNA1HALDH1A1KDM4EHPGDGLA
SCHEMBL26465816 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1HPGDGLA
SCHEMBL26465821 0.87 CACNA1H (0.41) CACNA1H
SCHEMBL26464502 0.85 CACNA1H (0.50) CACNA1HALDH1A1KDM4EHPGDDRD4
SCHEMBL26465703 0.85 CACNA1H (0.40) CACNA1HALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL26466608 0.84 CACNA1H (0.42) CACNA1HALDH1A1KDM4EHPGDGLA
SCHEMBL26465699 0.84 HPGD (0.55) CACNA1HALDH1A1KDM4EL3MBTL1HPGD

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