SCHEMBL26466006

SCHEMBL26466006

COc1cc(F)cc(NC(=O)CN2CC3CC(C2)N3CC(=O)NC2(C(F)(F)F)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.53
LMNA P02545 1/20 0.45
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPK1 P28482 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CXCR6 O00574 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA4 P43681 2/20 0.36

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
SCHEMBL26466009 0.90 CACNA1H (0.49) CACNA1HLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL26465563 0.89 CACNA1H (0.42) CACNA1HLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL26466903 0.89 CACNA1H (0.50) CACNA1HLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL26466012 0.88 CACNA1H (0.45) CACNA1HALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL26465080 0.86 CACNA1H (0.56) CACNA1HLMNAMEN1KMT2ACXCR6
SCHEMBL26465573 0.85 CACNA1H (0.72) CACNA1HLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL26465564 0.85 CACNA1H (0.43) CACNA1HALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL26465825 0.83 ALDH1A1 (0.44) CACNA1HLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL26466001 0.80 L3MBTL1 (0.48) CACNA1HLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL26466097 0.80 CACNA1H (0.45) CACNA1HLMNAALDH1A1KDM4EMEN1

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