SCHEMBL26466770

SCHEMBL26466770

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 8/20 0.42
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.41
LTA4H P09960 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CACNA1I Q9P0X4 2/20 0.37
CACNA1G O43497 1/20 0.36
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
MCHR1 Q99705 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
SCHEMBL26466222 0.89 CACNA1H (0.54) CACNA1HLTA4HMEN1KMT2ALMNA
SCHEMBL26466406 0.89 CACNA1H (0.54) CACNA1HLTA4HMEN1KMT2ALMNA
SCHEMBL26466237 0.89 CACNA1H (0.54) CACNA1HLTA4HMEN1KMT2ALMNA
SCHEMBL26466613 0.87 CACNA1H (0.52) CACNA1HCYP2D6KCNH2LTA4HMEN1
SCHEMBL26466598 0.86 CACNA1H (0.46) CACNA1HLTA4HMEN1KMT2AKCNJ5
SCHEMBL26466207 0.86 CACNA1H (0.46) CACNA1HLTA4HMEN1KMT2AKCNJ5
SCHEMBL26466390 0.84 CACNA1H (0.49) CACNA1HCYP2D6KCNH2LTA4HCACNA1I
SCHEMBL26466398 0.84 CACNA1H (0.49) CACNA1HCYP2D6KCNH2LTA4HCACNA1I
SCHEMBL26466387 0.84 CACNA1H (0.49) CACNA1HCYP2D6KCNH2LTA4HCACNA1I
SCHEMBL26466621 0.83 CACNA1H (0.47) CACNA1HCYP2D6KCNH2LTA4HLMNA

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