SCHEMBL24841256

SCHEMBL24841256

COC(=O)c1ncn(CCN(CCO)C(=O)OC(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ ADRB3 P13945 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ NOTUM Q6P988 1/20 0.33
▸ CPB2 Q96IY4 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ HTR4 Q13639 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
SCHEMBL30163009 0.88 SSTR4 (0.33) SSTR4P2RX3
SCHEMBL30162985 0.87 SSTR4 (0.41) SSTR4CA14P2RX3TMEM97GLA
SCHEMBL24841241 0.81 KMT2A (0.46) SSTR4CA14P2RX3KDM4EGLA
SCHEMBL24842027 0.77 SSTR4 (0.38) SSTR4CA14P2RX3KDM4EGLA
SCHEMBL15199612 0.77 ADRB3 (0.44) ADRB3TMEM97HRH3NOTUMKDM4E
SCHEMBL31487667 0.75 NOTUM (0.36) ADRB3TMEM97HRH3NOTUMKDM4E
SCHEMBL18764884 0.75 DRD2 (0.44) —
SCHEMBL30162882 0.72 SMN1; SMN2 (0.36) HRH3
SCHEMBL24841515 0.72 ADRB3 (0.41) ADRB3TMEM97HRH3NOTUMPOLB
SCHEMBL24842025 0.72 SSTR4 (0.42) SSTR4CA14P2RX3POLB

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