SCHEMBL26411550

SCHEMBL26411550

O=C(CN1CC2(CCC(C(=O)Nc3cc(F)cc(Cl)c3)CC2)C1)NC1(C(F)(F)F)COC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 4/20 0.42
GRM4 Q14833 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.33
RHOC P08134 1/20 0.33
RHOA P61586 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC10A1 Q14973 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MGLL Q99685 1/20 0.31

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
SCHEMBL26408044 0.93 CACNA1H (0.48) CACNA1HGRM4KMT2AMEN1SMN1; SMN2
SCHEMBL26408046 0.85 CACNA1H (0.46) CACNA1HGRM4KMT2AMEN1SMN1; SMN2
SCHEMBL26408958 0.83 GRM4 (0.41) CACNA1HGRM4KMT2AMEN1SMN1; SMN2
SCHEMBL26409707 0.83 GRM4 (0.43) CACNA1HGRM4KMT2AMEN1SMN1; SMN2
SCHEMBL26408705 0.82 NPSR1 (0.40) CACNA1HKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL26409922 0.82 CACNA1H (0.48) CACNA1HGRM4KMT2AMEN1SMN1; SMN2
SCHEMBL26410807 0.81 CACNA1H (0.41) CACNA1HGRM4KMT2AMEN1SMN1; SMN2
SCHEMBL26409305 0.81 CACNA1H (0.42) CACNA1HKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL26408685 0.80 TP53 (0.44) KMT2AALDH1A1POLBMGLL
SCHEMBL26409917 0.80 GRM4 (0.47) GRM4KMT2AMEN1SMN1; SMN2ALDH1A1

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-2023192675-A1 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING AN AZASPIRONONANE CORE AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 WO disclosed