SCHEMBL26408941

SCHEMBL26408941

O=C(CN1CC2(CCC(C(=O)Nc3ccc(F)c(C(F)F)c3)CC2)C1)NC1(C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 3/20 0.36
DRD3 P35462 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CACNA1H O95180 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
AKT1 P31749 1/20 0.35
ABL1 P00519 2/20 0.34
BACE1 P56817 4/20 0.33
ALOX15 P16050 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
EIF4E P06730 1/20 0.33
RET P07949 1/20 0.33

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
SCHEMBL26408699 0.88 MALT1 (0.47) MALT1CACNA1HMEN1KMT2A
SCHEMBL26408939 0.88 NPY5R (0.43) MAPTKMT2AABL1EIF4ERET
SCHEMBL26408948 0.88 SIGMAR1 (0.47) DRD3TMEM97SIGMAR1CACNA1HMAPT
SCHEMBL26408935 0.88 CACNA1H (0.34) MALT1DRD3TMEM97SIGMAR1CACNA1H
SCHEMBL26408707 0.86 MGLL (0.43) MALT1CACNA1HMAPTMEN1KMT2A
SCHEMBL26408933 0.86 KDR (0.43) MALT1DRD3TMEM97SIGMAR1AKT1
SCHEMBL26408937 0.86 HRH2 (0.40) MALT1DRD3TMEM97SIGMAR1CACNA1H
SCHEMBL26408693 0.86 LMNA (0.41) MAPT
SCHEMBL26408685 0.84 TP53 (0.44) MALT1MAPTKMT2A
SCHEMBL26408701 0.82 NPSR1 (0.49) DRD3MEN1KMT2A

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-2023192675-A1 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING AN AZASPIRONONANE CORE AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 WO disclosed