SCHEMBL26466402

SCHEMBL26466402

CC(C)(C)NC(=O)CN1CC2CC1CN2CC(=O)Nc1cccc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 2/20 0.65
KMT2A Q03164 1/20 0.51
CCKBR P32239 14/20 0.49
KCNT1 Q5JUK3 1/20 0.46

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
SCHEMBL26466613 0.89 CACNA1H (0.52) CACNA1HKMT2A
SCHEMBL26464500 0.86 CACNA1H (0.70) CACNA1HKMT2ACCKBRKCNT1
SCHEMBL26466245 0.85 HTT (0.55) CACNA1HKMT2A
SCHEMBL26466230 0.85 HTT (0.55) CACNA1HKMT2A
SCHEMBL26466418 0.85 HTT (0.55) CACNA1HKMT2A
SCHEMBL26466621 0.84 CACNA1H (0.47) CACNA1HCCKBR
SCHEMBL26466216 0.84 CACNA1H (0.47) CACNA1HCCKBR
SCHEMBL26466398 0.83 CACNA1H (0.49) CACNA1H
SCHEMBL26467008 0.83 ALDH1A1 (0.53) CACNA1HKMT2A
SCHEMBL26498839 0.82 CACNA1H (0.62) CACNA1HKMT2AKCNT1

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