SCHEMBL26499134

SCHEMBL26499134

CC(C)(C)NC(=O)CN1CCN(CC(=O)Nc2cc(F)cc(OC(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.51
LMNA P02545 1/20 0.49
ALDH1A1 P00352 10/20 0.47
KDM4E B2RXH2 2/20 0.46
CYP2D6 P10635 1/20 0.45
KCNH2 Q12809 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43
CACNA1G O43497 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42

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
SCHEMBL26464766 0.91 LMNA (0.47) CACNA1HLMNAALDH1A1KDM4ECYP2D6
SCHEMBL26083796 0.89 CACNA1H (0.59) CACNA1HLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL26082655 0.88 CACNA1H (0.49) CACNA1HLMNAALDH1A1SMN1; SMN2CACNA1G
SCHEMBL26498772 0.88 CACNA1H (0.64) CACNA1HLMNAALDH1A1KDM4ECYP2D6
SCHEMBL26466406 0.85 CACNA1H (0.54) CACNA1HLMNAALDH1A1KDM4EKMT2A
SCHEMBL26466222 0.85 CACNA1H (0.54) CACNA1HLMNAALDH1A1KDM4EKMT2A
SCHEMBL26466237 0.85 CACNA1H (0.54) CACNA1HLMNAALDH1A1KDM4EKMT2A
SCHEMBL26498773 0.83 CACNA1H (0.47) CACNA1HLMNAALDH1A1KDM4ECYP2D6
SCHEMBL26498774 0.82 ALDH1A1 (0.53) CACNA1HLMNAALDH1A1KDM4ECYP2D6
SCHEMBL26498845 0.81 CACNA1H (0.64) CACNA1HLMNAALDH1A1KDM4ECYP2D6

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-2023192664-A2 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING A DIAZASPIROHEPTANE CORE AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 WO disclosed