SCHEMBL26466385

SCHEMBL26466385

CC(C)(NC(=O)CN1CC2CC1CN2CC(=O)Nc1cc(F)cc(Cl)c1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 7/20 0.41
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
GRM4 Q14833 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
LTA4H P09960 1/20 0.36
MCHR1 Q99705 2/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
SLC6A9 P48067 2/20 0.35
SLC6A5 Q9Y345 2/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL26466390 0.91 CACNA1H (0.49) CACNA1HCYP2D6KCNH2CACNA1GCACNA1I
SCHEMBL26466387 0.91 CACNA1H (0.49) CACNA1HCYP2D6KCNH2CACNA1GCACNA1I
SCHEMBL26466398 0.91 CACNA1H (0.49) CACNA1HCYP2D6KCNH2CACNA1GCACNA1I
SCHEMBL26466247 0.85 HPGD (0.50) MEN1KMT2AALDH1A1
SCHEMBL26466419 0.85 HPGD (0.50) MEN1KMT2AALDH1A1
SCHEMBL26466238 0.85 HPGD (0.50) MEN1KMT2AALDH1A1
SCHEMBL26466609 0.84 CACNA1H (0.52) CACNA1HCYP2D6KCNH2CACNA1GCACNA1I
SCHEMBL26498854 0.84 CYP2D6 (0.54) CACNA1HCYP2D6KCNH2CACNA1GCACNA1I
SCHEMBL26466386 0.84 CACNA1H (0.45) CACNA1HMEN1KMT2AALDH1A1LTA4H
SCHEMBL26466613 0.82 CACNA1H (0.52) CACNA1HCYP2D6KCNH2CACNA1GCACNA1I

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