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SCHEMBL26464641

SCHEMBL26464641

CC(C(=O)Nc1ccc(F)c(Cl)c1)N1CC2CC(C1)N2CC(=O)NC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.48
▸ CACNA1H O95180 5/20 0.47
▸ TSHR P16473 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL26465821 0.86 CACNA1H (0.41) CACNA1H
SCHEMBL26464642 0.86 CACNA1H (0.44) CACNA1HTSHRKDM4EHPGDLMNA
SCHEMBL26465699 0.85 HPGD (0.55) HTTCACNA1HTSHRKDM4EHPGD
SCHEMBL26466418 0.79 HTT (0.55) HTTCACNA1HTSHRKDM4EHPGD
SCHEMBL26466230 0.79 HTT (0.55) HTTCACNA1HTSHRKDM4EHPGD
SCHEMBL26466245 0.79 HTT (0.55) HTTCACNA1HTSHRKDM4EHPGD
SCHEMBL26465823 0.78 HPGD (0.52) HTTTSHRKDM4EHPGDLMNA
SCHEMBL26465691 0.77 HPGD (0.53) HTTCACNA1HTSHRKDM4EHPGD
SCHEMBL26466611 0.75 HTT (0.55) HTTCACNA1HTSHRKDM4EHPGD
SCHEMBL26498838 0.73 HPGD (0.72) HTTCACNA1HTSHRKDM4EHPGD

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