SCHEMBL26466613

SCHEMBL26466613

CC(C)(C)NC(=O)CN1C[C@@H]2C[C@H]1CN2CC(=O)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 9/20 0.52
CYP2D6 P10635 2/20 0.52
KCNH2 Q12809 2/20 0.52
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.44
CACNA1I Q9P0X4 2/20 0.44
LTA4H P09960 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CXCR6 O00574 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CACNA1G O43497 1/20 0.39
ACP1 P24666 1/20 0.38
MAPT P10636 1/20 0.38
ANO1 Q5XXA6 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
SCHEMBL26466621 0.93 CACNA1H (0.47) CACNA1HCYP2D6KCNH2ALDH1A1RECQL
SCHEMBL26466387 0.92 CACNA1H (0.49) CACNA1HCYP2D6KCNH2ALDH1A1RECQL
SCHEMBL26466390 0.92 CACNA1H (0.49) CACNA1HCYP2D6KCNH2ALDH1A1RECQL
SCHEMBL26466398 0.92 CACNA1H (0.49) CACNA1HCYP2D6KCNH2ALDH1A1RECQL
SCHEMBL26466402 0.89 CACNA1H (0.65) CACNA1HKMT2A
SCHEMBL26466770 0.87 CACNA1H (0.42) CACNA1HCYP2D6KCNH2ALDH1A1RECQL
SCHEMBL26466609 0.85 CACNA1H (0.52) CACNA1HCYP2D6KCNH2ALDH1A1RECQL
SCHEMBL26465838 0.85 CACNA1H (0.55) CACNA1HCYP2D6KCNH2ALDH1A1RECQL
SCHEMBL26466230 0.84 HTT (0.55) CACNA1HALDH1A1MEN1KMT2AMAPT
SCHEMBL26466418 0.84 HTT (0.55) CACNA1HALDH1A1MEN1KMT2AMAPT

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