SCHEMBL31059148

SCHEMBL31059148

COc1cc2c(cn1)OC1(CNC(C)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ CHRNA2 Q15822 1/20 0.36
▸ SCN9A Q15858 1/20 0.32
▸ ACACB O00763 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
SCHEMBL23304851 1.00 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA4CHRNA2SCN9A
SCHEMBL23304762 0.88 — —
SCHEMBL31059133 0.83 CHRNA7 (0.30) —
SCHEMBL23304906 0.83 CHRNA7 (0.30) —
SCHEMBL29758563 0.83 CHRNA7 (0.30) —
SCHEMBL23304784 0.82 HTR2C (0.30) —
SCHEMBL31059143 0.82 HTR2C (0.30) —
SCHEMBL29758560 0.82 HTR2C (0.30) —
SCHEMBL31059164 0.80 — —
SCHEMBL23304722 0.80 — —

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
CN-114929709-B Spirocyclic O-glycoprotein-2-acetamido-2-deoxy-3-D-glucopyranoside inhibitors 比奥根MA公司 2024-08-30 — — CN disclosed
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