SCHEMBL20329344

SCHEMBL20329344

C[C@@H](NC(=O)Cc1ccc(C2CC2)cc1)c1ccc(OCC(C)(C)F)cn1

nearest known ligand 0.87

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 4/20 0.87
CACNA1G O43497 2/20 0.87
CACNA1H O95180 2/20 0.87
CNR2 P34972 1/20 0.64
KCNH2 Q12809 1/20 0.64
ACACB O00763 10/20 0.43
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
EPHX2 P34913 1/20 0.38
ACACA Q13085 1/20 0.38

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
SCHEMBL20328202 0.94 CACNA1I (0.87) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL8233861 0.93 CACNA1I (1.00) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL23327963 0.93 CACNA1I (1.00) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL29363972 0.93 CACNA1I (1.00) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL20328205 0.92 CACNA1I (0.84) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL20328409 0.91 CACNA1I (0.85) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1064013 0.86 CACNA1I (0.76) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL29110007 0.85 CACNA1I (0.72) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2139411 0.83 CACNA1I (0.82) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2136762 0.83 CACNA1I (0.82) CACNA1ICACNA1GCACNA1HCNR2KCNH2

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-2018118101-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2018-06-28 WO disclosed