SCHEMBL30011997

SCHEMBL30011997

Nc1ncc2c(n1)[nH]c(=O)n2CC1CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 11/20 0.51
▸ GRIN2B Q13224 11/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MTOR P42345 5/20 0.42
▸ MAP3K11 Q16584 2/20 0.42
▸ PDE5A O76074 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40

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
SCHEMBL23202362 1.00 GRIN1 (0.51) GRIN1GRIN2BMEN1ALDH1A1CYP3A4
SCHEMBL30012695 0.80 GRIN1 (0.46) GRIN1GRIN2BMEN1ALDH1A1CYP3A4
SCHEMBL30110633 0.80 GRIN1 (0.48) GRIN1GRIN2BMEN1ALDH1A1CYP3A4
SCHEMBL23393003 0.80 GRIN1 (0.48) GRIN1GRIN2BMEN1ALDH1A1CYP3A4
SCHEMBL23202404 0.76 ADORA2B (0.48) GRIN1GRIN2BPDE4APDE4BPDE4C
SCHEMBL30011489 0.76 ADORA2B (0.48) GRIN1GRIN2BPDE4APDE4BPDE4C
SCHEMBL721924 0.75 GRIN1 (0.64) GRIN1GRIN2BMEN1ALDH1A1CYP3A4
SCHEMBL23202297 0.73 MEN1 (0.46) GRIN1GRIN2BMEN1ALDH1A1CYP3A4
SCHEMBL30013359 0.73 MEN1 (0.46) GRIN1GRIN2BMEN1ALDH1A1CYP3A4
SCHEMBL481412 0.70 MTOR (0.72) MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112533607-B TLR7 agonists 普利缪尼治疗学股份有限公司 2025-01-07 — — CN disclosed
CN-115427063-A TLR7 agonists 普利缪尼治疗学股份有限公司 2022-12-02 — — CN disclosed
EP-4065155-A1 TLR7 AGONISTS Primmune Therapeutics, Inc. (US) 2022-10-05 — — EP disclosed
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