SCHEMBL26466913

SCHEMBL26466913

COc1cc(NC(=O)CN2C[C@@H]3C[C@H]2CN3CC(=O)NC(C)(C)C)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 5/20 0.45
CACNA1H O95180 1/20 0.44
KMT2A Q03164 3/20 0.44
CXCR6 O00574 1/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.42
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL26466999 0.88 CACNA1H (0.42) L3MBTL1ALDH1A1CACNA1HKMT2ALMNA
SCHEMBL26466777 0.88 ALDH1A1 (0.45) L3MBTL1ALDH1A1CACNA1HKMT2AHTT
SCHEMBL26465996 0.87 L3MBTL1 (0.52) L3MBTL1ALDH1A1CACNA1HKMT2ACXCR6
SCHEMBL26467008 0.84 ALDH1A1 (0.53) L3MBTL1ALDH1A1CACNA1HKMT2ALMNA
SCHEMBL26466245 0.83 HTT (0.55) ALDH1A1CACNA1HKMT2AHTTSMN1; SMN2
SCHEMBL26466418 0.83 HTT (0.55) ALDH1A1CACNA1HKMT2AHTTSMN1; SMN2
SCHEMBL26466230 0.83 HTT (0.55) ALDH1A1CACNA1HKMT2AHTTSMN1; SMN2
SCHEMBL26466925 0.82 CACNA1H (0.46) ALDH1A1CACNA1HKMT2ACXCR6LMNA
SCHEMBL26466402 0.81 CACNA1H (0.65) CACNA1HKMT2A
SCHEMBL26466613 0.80 CACNA1H (0.52) L3MBTL1ALDH1A1CACNA1HKMT2ACXCR6

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