SCHEMBL28890820

SCHEMBL28890820

CC(C)(C)OC(=O)N1CC(CN2CC(CO)C2)C1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.63
NAMPT P43490 1/20 0.43
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
PDE4B Q07343 1/20 0.35
RECQL P46063 1/20 0.35
EPHX1 P07099 1/20 0.35
CNR1 P21554 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
RORC P51449 1/20 0.34

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
SCHEMBL72498 0.90 NR1H2 (0.75) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL23361270 0.88 NR1H2 (0.52) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL27420187 0.84 NR1H2 (0.51) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL24032960 0.84 NR1H2 (0.51) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL2299142 0.83 NR1H2 (0.76) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL24106626 0.83 NR1H2 (0.66) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL24033323 0.83 NR1H2 (0.50) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL24186964 0.82 NR1H2 (0.52) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL2459787 0.81 NR1H2 (0.51) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL24744857 0.81 NR1H2 (0.51) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4058457-A2 NITROGEN OXIDE-DONATING PDE-5 AND/OR PDE-6 INHIBITOR COMPOUNDS Ildong Pharmaceutical Co., Ltd. (KR) 2022-09-21 EP disclosed
CN-115038704-A Nitrogen oxide donating PDE-5 and/or PDE-6 inhibitor compounds 日东制药股份有限公司 2022-09-09 CN disclosed
WO-2022096930-A2 NITROGEN OXIDE-DONATING PDE-5 AND/OR PDE-6 INHIBITOR COMPOUNDS, AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-05-12 WO disclosed