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Sugi Predict / Compounds / SCHEMBL26082028

SCHEMBL26082028

SCHEMBL26082028

CC(C)(C)NC(=O)CN1CC2(CC(CNC(=O)c3cc(OC(F)F)ccc3F)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 17/20 0.43
▸ CACNA1I Q9P0X4 2/20 0.43
▸ CACNA1G O43497 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.36
▸ PSMB8 P28062 1/20 0.35
▸ PSMB5 P28074 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
SCHEMBL26083464 0.86 CACNA1H (0.58) CACNA1HCACNA1ICACNA1G
SCHEMBL26082026 0.85 CACNA1H (0.47) CACNA1HCACNA1ICACNA1G
SCHEMBL26083567 0.78 KMT2A (0.43) CACNA1HCACNA1ICACNA1GKDM4E
SCHEMBL26082038 0.78 CACNA1H (0.39) CACNA1HCACNA1ICACNA1G
SCHEMBL26082041 0.78 CACNA1H (0.39) CACNA1HCACNA1ICACNA1G
SCHEMBL26081952 0.78 KMT2A (0.43) CACNA1HCACNA1ICACNA1GKDM4E
SCHEMBL26082338 0.76 CACNA1I (0.48) CACNA1HCACNA1ICACNA1GPSMB8PSMB5
SCHEMBL26082341 0.75 CACNA1I (0.57) CACNA1HCACNA1ICACNA1G
SCHEMBL26083134 0.74 CACNA1H (0.66) CACNA1HCACNA1ICACNA1G
SCHEMBL26104660 0.72 CACNA1H (0.44) CACNA1HCACNA1ICACNA1G

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-2023192687-A1 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING AN AZASPIROHEPTANE CORE AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 — — WO disclosed