Sugi Predict

Sugi Predict / Compounds / SCHEMBL26466599

SCHEMBL26466599

SCHEMBL26466599

CC(C)(C)NC(=O)CN1C[C@@H]2C[C@H]1CN2CC(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 13/20 0.70
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ KMT2A Q03164 1/20 0.44
▸ EPHX2 P34913 1/20 0.43

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
SCHEMBL26466205 0.94 CACNA1H (0.68) CACNA1HKDM4EALDH1A1KMT2AEPHX2
SCHEMBL26466776 0.89 CACNA1H (0.56) CACNA1HKDM4EALDH1A1KMT2AEPHX2
SCHEMBL26466764 0.89 CACNA1H (0.55) CACNA1HKDM4EALDH1A1KMT2A
SCHEMBL26466775 0.87 CACNA1H (0.54) CACNA1HKDM4EALDH1A1KMT2A
SCHEMBL26466763 0.86 CACNA1H (0.51) CACNA1HKDM4EALDH1A1KMT2A
SCHEMBL26465830 0.84 CACNA1H (0.73) CACNA1HKDM4EALDH1A1KMT2A
SCHEMBL26498849 0.82 CACNA1H (1.00) CACNA1HKDM4EALDH1A1KMT2A
SCHEMBL26466911 0.81 CACNA1H (0.46) CACNA1HKDM4EALDH1A1EPHX2
SCHEMBL26463801 0.80 CACNA1H (0.71) CACNA1HKDM4EALDH1A1KMT2A
SCHEMBL26464310 0.79 CACNA1H (0.92) CACNA1HKDM4EALDH1A1KMT2A

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