SCHEMBL26466918

SCHEMBL26466918

CC(C)(C)NC(=O)CN1C[C@@H]2C[C@H]1CN2CC(=O)NC1CCCC(OC(F)F)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 9/20 0.35
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
EPHX2 P34913 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL26465984 0.87 CACNA1H (0.40) CACNA1HKMT2A
SCHEMBL26466767 0.81 SIGMAR1 (0.45) CACNA1HKMT2AGAA
SCHEMBL26466002 0.66 SIGMAR1 (0.50) CACNA1HKMT2AGAA
SCHEMBL26466996 0.66 CACNA1H (0.41) CACNA1H
SCHEMBL26466207 0.65 CACNA1H (0.46) CACNA1HKMT2AEPHX2
SCHEMBL26466598 0.65 CACNA1H (0.46) CACNA1HKMT2AEPHX2
SCHEMBL931682 0.65 SIGMAR1 (0.46) KMT2AEPHX2
SCHEMBL26466763 0.65 CACNA1H (0.51) CACNA1HKMT2A
SCHEMBL26466599 0.63 CACNA1H (0.70) CACNA1HKMT2AEPHX2
SCHEMBL26466764 0.63 CACNA1H (0.55) CACNA1HKMT2A

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