SCHEMBL30162835

SCHEMBL30162835

COC(=O)c1ncn(CCOCCO)n1.Cc1nc(C(=O)O)nn1CCOCCO

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NOTUM Q6P988 1/20 0.31
▸ JAK3 P52333 1/20 0.30

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
SCHEMBL24842047 0.85 ADRB3 (0.40) ADRB3TMEM97HRH3MAPTNOTUM
SCHEMBL30162758 0.84 ADRB3 (0.33) ADRB3TMEM97HRH3MAPTNOTUM
SCHEMBL30162689 0.83 ADRB3 (0.32) ADRB3TMEM97HRH3NOTUM
SCHEMBL30163009 0.77 SSTR4 (0.33) —
SCHEMBL30162850 0.76 ADRB3 (0.33) ADRB3TMEM97HRH3NOTUM
SCHEMBL6853830 0.76 NOTUM (0.39) ADRB3TMEM97HRH3MAPTNOTUM
SCHEMBL6854963 0.74 NOTUM (0.40) ADRB3TMEM97HRH3NOTUM
SCHEMBL15199612 0.74 ADRB3 (0.44) ADRB3TMEM97HRH3MAPTNOTUM
SCHEMBL6855523 0.74 TSHR (0.39) ADRB3TMEM97HRH3NOTUM
SCHEMBL31728124 0.73 NOTUM (0.43) ADRB3TMEM97HRH3MAPTNOTUM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023277517-A1 ACYCLIC NUCLEIC ACID MIMIC COMPRISING PENTACYCLIC BASE 동아대학교 산학협력단 2023-01-05 — — WO claimed
WO-2023277517-A1 ACYCLIC NUCLEIC ACID MIMIC COMPRISING PENTACYCLIC BASE 동아대학교 산학협력단 2023-01-05 — — WO disclosed
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