SCHEMBL20031521

SCHEMBL20031521

CC(C)(C)OC(=O)N1C[C@@H](Br)[C@H](OCCO)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.48
NAMPT P43490 1/20 0.38
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
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 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HPGD P15428 1/20 0.35
GPR119 Q8TDV5 2/20 0.33
RECQL P46063 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
EPHX1 P07099 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 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
SCHEMBL14969670 1.00 NR1H2 (0.48) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL23555640 1.00 NR1H2 (0.48) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL20463845 0.92 NR1H2 (0.46) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL15946892 0.89 NR1H2 (0.44) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL20463843 0.86 NR1H2 (0.43) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL8488452 0.84 NR1H2 (0.49) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL8486841 0.84 NR1H2 (0.49) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL9189316 0.84 NR1H2 (0.49) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL2384096 0.80 NR1H2 (0.54) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL31339919 0.78 NR1H2 (0.49) NR1H2NAMPTUSP2SMN1; SMN2MEN1

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-3519412-B1 CYANOPYRROLIDINE DERIVATIVES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2021-12-01 EP disclosed
WO-2018060742-A1 CYANOPYRROLIDINE DERIVATIVES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2018-04-05 WO disclosed