SCHEMBL26464769

SCHEMBL26464769

O=C(CN1CCN(CC(=O)NC2(C(F)(F)F)CC2)CC1)Nc1cc(F)cc(OC(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 9/20 0.42
KDM4E B2RXH2 2/20 0.41
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.39
ATM Q13315 2/20 0.39
ALOX15 P16050 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
SCHEMBL26465563 0.88 CACNA1H (0.42) LMNAALDH1A1KDM4ETHRBSMN1; SMN2
SCHEMBL26466389 0.86 CACNA1H (0.40) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL26466907 0.86 CACNA1H (0.40) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL26408706 0.83 CACNA1H (0.36) POLB
SCHEMBL26499134 0.81 CACNA1H (0.51) LMNAALDH1A1KDM4ETHRBSMN1; SMN2
SCHEMBL26464766 0.81 LMNA (0.47) LMNAALDH1A1KDM4ETHRBSMN1; SMN2
SCHEMBL26083427 0.78 CACNA1H (0.56)
SCHEMBL26466006 0.76 CACNA1H (0.53) LMNAALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL26466903 0.74 CACNA1H (0.50) LMNAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL26082300 0.73 CACNA1H (0.51) LMNASMN1; SMN2MAPTTSHR

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