SCHEMBL26409707

SCHEMBL26409707

CC1(NC(=O)CN2CC3(CCC(C(=O)Nc4cc(F)cc(Cl)c4)CC3)C2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CACNA1H O95180 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
CACNA1G O43497 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1C Q13936 1/20 0.38
CACNA1I Q9P0X4 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL26408046 0.96 CACNA1H (0.46) GRM4MEN1KMT2ACACNA1HSMN1; SMN2
SCHEMBL26082303 0.91 GRM4 (0.42) GRM4MEN1KMT2ACACNA1HSMN1; SMN2
SCHEMBL26082304 0.89 SMN1; SMN2 (0.46) GRM4MEN1KMT2ACACNA1HSMN1; SMN2
SCHEMBL26409932 0.88 CACNA1H (0.36) GRM4MEN1KMT2ACACNA1HCACNA1G
SCHEMBL26408958 0.87 GRM4 (0.41) GRM4MEN1KMT2ACACNA1HSMN1; SMN2
SCHEMBL26408044 0.86 CACNA1H (0.48) GRM4MEN1KMT2ACACNA1HSMN1; SMN2
SCHEMBL26409917 0.86 GRM4 (0.47) GRM4MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL26409922 0.86 CACNA1H (0.48) GRM4MEN1KMT2ACACNA1HSMN1; SMN2
SCHEMBL30546530 0.83 CACNA1H (0.41) GRM4MEN1KMT2ACACNA1HSMN1; SMN2
SCHEMBL26411382 0.83 GRM4 (0.40) GRM4MEN1KMT2ACACNA1HSMN1; SMN2

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