SCHEMBL31487667

SCHEMBL31487667

COC(=O)c1ncn(CCCC(=O)OC(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.36
▸ ADRB3 P13945 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ STING1 Q86WV6 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ KAT2B Q92831 1/20 0.33
▸ TNF P01375 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATR Q13535 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ MAPK13 O15264 1/20 0.31
▸ MAPK12 P53778 1/20 0.31
▸ MAPK11 Q15759 1/20 0.31
▸ MAPK14 Q16539 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
SCHEMBL18764884 0.80 DRD2 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL23588215 0.77 NOTUM (0.40) NOTUMADRB3TMEM97HRH3ALDH1A1
SCHEMBL24841515 0.77 ADRB3 (0.41) NOTUMADRB3TMEM97HRH3HDAC8
SCHEMBL21281675 0.76 NOTUM (0.42) NOTUMADRB3TMEM97HRH3ALDH1A1
SCHEMBL15199612 0.76 ADRB3 (0.44) NOTUMADRB3TMEM97HRH3ALDH1A1
SCHEMBL24841256 0.75 SSTR4 (0.40) NOTUMADRB3TMEM97HRH3KDM4E
SCHEMBL31728124 0.75 NOTUM (0.43) NOTUMADRB3TMEM97HRH3ALDH1A1
SCHEMBL22319717 0.74 NOTUM (0.40) NOTUMADRB3TMEM97HRH3ALDH1A1
SCHEMBL4784720 0.73 NOTUM (0.46) NOTUMADRB3TMEM97HRH3ALDH1A1
SCHEMBL7464070 0.73 ADRB3 (0.46) NOTUMADRB3TMEM97HRH3MEN1

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-2025058977-A1 MODULATORS OF CORONAVIRUS 3C-LIKE PROTEASE AND USES THEREOF Vir Biotechnology, Inc. (US) 2025-03-20 — — WO disclosed
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