SCHEMBL26466764

SCHEMBL26466764

CC(C)(C)NC(=O)CN1C[C@@H]2C[C@H]1CN2CC(=O)NC12CCC(CC1)C2

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 16/20 0.55
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL26466763 0.93 CACNA1H (0.51) CACNA1HKMT2AKDM4EALDH1A1HTT
SCHEMBL26466599 0.89 CACNA1H (0.70) CACNA1HKMT2AKDM4EALDH1A1
SCHEMBL26466205 0.85 CACNA1H (0.68) CACNA1HKMT2AKDM4EALDH1A1
SCHEMBL26466000 0.85 CACNA1H (0.58) CACNA1HKMT2AKDM4EALDH1A1
SCHEMBL26466775 0.81 CACNA1H (0.54) CACNA1HKMT2AKDM4EALDH1A1
SCHEMBL26466776 0.79 CACNA1H (0.56) CACNA1HKMT2AKDM4EALDH1A1
SCHEMBL26465994 0.77 CACNA1H (0.54) CACNA1HKMT2AKDM4EALDH1A1
SCHEMBL26465830 0.73 CACNA1H (0.73) CACNA1HKMT2AKDM4EALDH1A1
SCHEMBL26466767 0.72 SIGMAR1 (0.45) CACNA1HKMT2ANPSR1
SCHEMBL26498849 0.71 CACNA1H (1.00) CACNA1HKMT2AKDM4EALDH1A1

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