SCHEMBL26466596

SCHEMBL26466596

CC(C)(C)NC(=O)CN1C[C@@H]2C[C@H]1CN2CC(=O)Nc1ccc(F)c(OC(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.40
LTA4H P09960 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
GLA P06280 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ANO1 Q5XXA6 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
DRD4 P21917 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
EPHX2 P34913 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
SCHEMBL26466608 0.94 CACNA1H (0.42) CACNA1HALDH1A1KDM4EMEN1MAPT
SCHEMBL26466999 0.90 CACNA1H (0.42) CACNA1HLTA4HALDH1A1KDM4EMEN1
SCHEMBL26466777 0.89 ALDH1A1 (0.45) CACNA1HLTA4HALDH1A1KDM4EMEN1
SCHEMBL26466996 0.89 CACNA1H (0.41) CACNA1HLTA4HALDH1A1KDM4EANO1
SCHEMBL26465696 0.88 CACNA1H (0.44) CACNA1HALDH1A1KDM4EHPGDGLA
SCHEMBL26466207 0.84 CACNA1H (0.46) CACNA1HLTA4HALDH1A1KDM4EMEN1
SCHEMBL26466598 0.84 CACNA1H (0.46) CACNA1HLTA4HALDH1A1KDM4EMEN1
SCHEMBL26466917 0.84 SIGMAR1 (0.46) CACNA1HLTA4HMAPTHTTHPGD
SCHEMBL26466245 0.83 HTT (0.55) CACNA1HALDH1A1KDM4EMEN1MAPT
SCHEMBL26466230 0.83 HTT (0.55) CACNA1HALDH1A1KDM4EMEN1MAPT

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