SCHEMBL29558378

SCHEMBL29558378

[2H]C1([2H])N(C(=O)OC(C)(C)C)C([2H])([2H])C([2H])([2H])C([2H])(CN)C1([2H])[2H]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.35
EPHX1 P07099 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
EPHX2 P34913 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
DPP4 P27487 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 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
SCHEMBL12604688 0.84 NR1H2 (0.44) NR1H2USP2SMN1; SMN2HPGDRECQL
SCHEMBL12604691 0.84 NR1H2 (0.41) NR1H2USP2SMN1; SMN2HPGDRECQL
SCHEMBL12550669 0.83 NR1H2 (0.40) NR1H2USP2SMN1; SMN2HPGDRECQL
SCHEMBL17122072 0.80 USP2 (0.43) NR1H2USP2SMN1; SMN2HPGDRECQL
SCHEMBL17190705 0.80 USP2 (0.43) NR1H2USP2SMN1; SMN2HPGDRECQL
SCHEMBL27038748 0.79 NR1H2 (0.45) NR1H2USP2SMN1; SMN2HPGDRECQL
SCHEMBL15401504 0.78 CHRM2 (0.46) NR1H2USP2SMN1; SMN2HPGDRECQL
SCHEMBL17122067 0.78 USP2 (0.44) NR1H2USP2SMN1; SMN2HPGDRECQL
SCHEMBL27038481 0.76 USP2 (0.47) NR1H2USP2SMN1; SMN2HPGDRECQL
SCHEMBL27038646 0.75 MEN1 (0.40) NR1H2USP2SMN1; SMN2HPGDRECQL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240352-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF Praxis Precision Medicines, Inc. (US) 2023-09-13 EP disclosed
WO-2022099207-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2022-05-12 WO disclosed