SCHEMBL31316650

SCHEMBL31316650

CC(C)(C)OC(=O)N1CC(C)(/C(N)=N/O)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR1H2 P55055 3/20 0.37
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
RORC P51449 2/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
EPHX1 P07099 1/20 0.33
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL31316528 0.88 USP2 (0.40) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL23439070 0.84 USP2 (0.45) USP2SMN1; SMN2HPGDEPHX2GPR119
SCHEMBL30237873 0.84 USP2 (0.45) USP2SMN1; SMN2HPGDEPHX2GPR119
SCHEMBL18764575 0.83 USP2 (0.44) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL30923136 0.82 USP2 (0.51) USP2SMN1; SMN2RECQL
SCHEMBL30694000 0.80 USP2 (0.37) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL18764652 0.80 USP2 (0.42) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL15116747 0.78 USP2 (0.46) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL13419535 0.78 USP2 (0.46) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL15879580 0.77 USP2 (0.40) USP2SMN1; SMN2NR1H2HPGDEPHX2

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
WO-2025010311-A1 UREA-CONTAINING AGONISTS OF OREXIN RECEPTOR TYPE 2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-01-09 WO disclosed