SCHEMBL26464310

SCHEMBL26464310

CC(C)(C)NC(=O)CN1CCCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1

nearest known ligand 0.92

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 10/20 0.92
ALDH1A1 P00352 4/20 0.70
KDM4E B2RXH2 1/20 0.65
KMT2A Q03164 1/20 0.56
EPHX1 P07099 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PSMB5 P28074 1/20 0.44

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
SCHEMBL26498849 0.96 CACNA1H (1.00) CACNA1HALDH1A1KDM4EKMT2AEPHX1
SCHEMBL26499136 0.86 CACNA1H (0.81) CACNA1HALDH1A1KDM4EKMT2A
SCHEMBL26082301 0.84 CACNA1H (0.77) CACNA1HALDH1A1KDM4EKMT2AEPHX1
SCHEMBL4365559 0.83 ALDH1A1 (0.94) CACNA1HALDH1A1KDM4EKMT2AEPHX1
SCHEMBL26463219 0.82 CACNA1H (0.74) CACNA1HALDH1A1KDM4EKMT2AEPHX1
SCHEMBL26082692 0.82 CACNA1H (0.74) CACNA1HALDH1A1KDM4EKMT2AEPHX1
SCHEMBL26082825 0.82 CACNA1H (0.73) CACNA1HALDH1A1KDM4EKMT2AEPHX1
SCHEMBL4216881 0.82 ALDH1A1 (0.70) CACNA1HALDH1A1KDM4EEPHX1POLB
SCHEMBL26465830 0.81 CACNA1H (0.73) CACNA1HALDH1A1KDM4EKMT2APSMB5
SCHEMBL26463801 0.80 CACNA1H (0.71) CACNA1HALDH1A1KDM4EKMT2A

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