SCHEMBL26466617

SCHEMBL26466617

COc1cc(F)cc(NC(=O)CN2C[C@@H]3C[C@H]2CN3CC(=O)NC(C)(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 5/20 0.67
LMNA P02545 1/20 0.45
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
ACKR3 P25106 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.39
LTA4H P09960 1/20 0.39

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) CACNA1HLMNAALDH1A1KDM4EKMT2A
SCHEMBL26466406 0.89 CACNA1H (0.54) CACNA1HLMNAALDH1A1KDM4EKMT2A
SCHEMBL26466237 0.89 CACNA1H (0.54) CACNA1HLMNAALDH1A1KDM4EKMT2A
SCHEMBL26465573 0.87 CACNA1H (0.72) CACNA1HLMNAALDH1A1KDM4EACKR3
SCHEMBL26466398 0.85 CACNA1H (0.49) CACNA1HALDH1A1LTA4H
SCHEMBL26466390 0.85 CACNA1H (0.49) CACNA1HALDH1A1LTA4H
SCHEMBL26466387 0.85 CACNA1H (0.49) CACNA1HALDH1A1LTA4H
SCHEMBL26498772 0.84 CACNA1H (0.64) CACNA1HLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL26466903 0.83 CACNA1H (0.50) CACNA1HLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL26466925 0.82 CACNA1H (0.46) CACNA1HLMNAALDH1A1KDM4ESMN1; SMN2

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