SCHEMBL26465812

SCHEMBL26465812

CC(C)(C)NC(=O)CN1C2CC1CN(CC(=O)Nc1ccc(F)c(C(F)F)c1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 7/20 0.47
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
GLA P06280 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
AKT1 P31749 1/20 0.38
POLB P06746 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
SCHEMBL26465699 0.87 HPGD (0.55) CACNA1HALDH1A1KDM4EHPGDMAPT
SCHEMBL26465696 0.87 CACNA1H (0.44) CACNA1HALDH1A1KDM4EHPGDGLA
SCHEMBL26465810 0.86 CACNA1H (0.47) CACNA1HALDH1A1KDM4EHPGDGLA
SCHEMBL26465708 0.85 CACNA1H (0.49) CACNA1HALDH1A1KDM4EMAPTMEN1
SCHEMBL26464504 0.84 CACNA1H (0.52) CACNA1HALDH1A1MAPTLMNAPOLB
SCHEMBL26465818 0.84 CACNA1H (0.42) CACNA1HALDH1A1ALOX15KDM4EHPGD
SCHEMBL26465692 0.84 CACNA1H (0.45) CACNA1HALDH1A1KDM4EHPGDGLA
SCHEMBL26464500 0.81 CACNA1H (0.70) CACNA1HTDP1MAPTMEN1KMT2A
SCHEMBL26465838 0.80 CACNA1H (0.55) CACNA1HALDH1A1CYP2D6
SCHEMBL26464490 0.80 CACNA1H (0.54) CACNA1HCYP2D6

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