SCHEMBL4684359

SCHEMBL4684359

CC1CN(C(=O)OC(C)(C)C)CC(C)N1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.49
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HPGD P15428 1/20 0.41
RORC P51449 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
NAMPT P43490 1/20 0.38
USP30 Q70CQ3 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
PREP P48147 1/20 0.37

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
SCHEMBL29655394 1.00 NR1H2 (0.49) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL3938157 0.86 NR1H2 (0.49) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL1481922 0.86 NR1H2 (0.49) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL2378746 0.86 CHRM2 (0.45) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL4677686 0.84 NR1H2 (0.51) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL34468363 0.84 NR1H2 (0.51) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL5881516 0.84 NR1H2 (0.51) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL4677693 0.84 NR1H2 (0.51) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL459742 0.84 NR1H2 (0.50) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL21911293 0.81 NR1H2 (0.51) NR1H2USP2SMN1; SMN2CHRM2CHRM1

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
WO-2023277656-A1 NOVEL BENZOPYRAN DERIVATIVE AND USE THEREOF (주)스파크바이오파마 2023-01-05 WO disclosed
EP-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 EP disclosed