SCHEMBL25263000

SCHEMBL25263000

O=C(O)N[C@@H]1CNC[C@H](NC(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.39
CHRNA4 P43681 9/20 0.39
CHRNB4 P30926 6/20 0.39
CHRNA3 P32297 6/20 0.39
CHRNA7 P36544 5/20 0.39
EPHX1 P07099 2/20 0.34
POLB P06746 1/20 0.31
CYP2D6 P10635 2/20 0.31
LMNA P02545 2/20 0.31
BLM P54132 2/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL477253 0.90
Hydrochloric Acid SCHEMBL5573261 0.87
SCHEMBL27212481 0.87 EPHX2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL27212488 0.87 EPHX2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL23113716 0.87 EPHX2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25189379 0.85 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL15874738 0.85 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25281149 0.85 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL21550362 0.85 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3241064 0.85 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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-4212633-A1 MOLECULES TARGETING VIRAL RNA AND/OR VIRAL RNA-PROTEIN COMPLEXES FOR USE IN THE TREATMENT OF VIRAL INFECTIONS, IN PARTICULAR COVID-19 Johann-Wolfgang-Goethe-Universität Frankfurt am Main (DE) 2023-07-19 EP disclosed