SCHEMBL22874296

SCHEMBL22874296

CC1CN(C(=O)OC(C)(C)C)C[C@H]1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.47
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DDB1 Q16531 2/20 0.40
CRBN Q96SW2 2/20 0.40
HPGD P15428 1/20 0.40
USP30 Q70CQ3 1/20 0.38
RECQL P46063 1/20 0.38
EPHX1 P07099 1/20 0.38
NAMPT P43490 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
RORC P51449 1/20 0.36
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL13438476 1.00 NR1H2 (0.47) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL19385409 1.00 NR1H2 (0.47) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL10054588 1.00 NR1H2 (0.47) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL1536087 0.85 HPGD (0.47) NR1H2USP2SMN1; SMN2HPGDUSP30
SCHEMBL31434076 0.85 HPGD (0.47) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL19889963 0.85 HPGD (0.47) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL31433887 0.85 HPGD (0.47) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL19890506 0.85 HPGD (0.47) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL31434084 0.85 HPGD (0.47) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL13438545 0.85 NR1H2 (0.46) NR1H2USP2SMN1; SMN2DDB1CRBN

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
EP-3303339-B1 PDE9 INHIBITORS WITH IMIDAZO TRIAZINONE BACKBONE AND IMIDAZO PYRAZINONE BACKBONE FOR TREATMENT OF PERIPHERAL DISEASES H LUNDBECK AS (DK) 2021-01-13 EP disclosed