SCHEMBL26465692

SCHEMBL26465692

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 4/20 0.45
WNT3A P56704 2/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
EPHX2 P34913 4/20 0.40
AKT1 P31749 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL26465708 0.91 CACNA1H (0.49) CACNA1HKMT2AMEN1ATMALDH1A1
SCHEMBL26465696 0.88 CACNA1H (0.44) CACNA1HALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL26465810 0.86 CACNA1H (0.47) CACNA1HALDH1A1KDM4EHPGDGLA
SCHEMBL26465693 0.85 CACNA1H (0.41) CACNA1HWNT3AKMT2AMEN1ATM
SCHEMBL26465699 0.85 HPGD (0.55) CACNA1HKMT2AMEN1ALDH1A1KDM4E
SCHEMBL26465812 0.84 CACNA1H (0.47) CACNA1HKMT2AMEN1AKT1ALDH1A1
SCHEMBL26465996 0.81 L3MBTL1 (0.52) CACNA1HKMT2AMEN1ALDH1A1KDM4E
SCHEMBL26464500 0.79 CACNA1H (0.70) CACNA1HKMT2AMEN1TDP1
SCHEMBL26465838 0.78 CACNA1H (0.55) CACNA1HALDH1A1
SCHEMBL26464490 0.78 CACNA1H (0.54) CACNA1H

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