SCHEMBL9684528

SCHEMBL9684528

C=CCN1Cc2nc3c(CCCC)cccc3c(N)c2C1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRNE Q04844 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TLR8 Q9NR97 2/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL9685810 0.88 LMNA (0.39) CHRNETLR7ALDH1A1GAATLR8
SCHEMBL9684714 0.85 LMNA (0.38) CHRNEALDH1A1GAATLR8
SCHEMBL9724626 0.84 PDE4A (0.40) TLR7TLR8
SCHEMBL9686442 0.82 HTT (0.38) CHRNEALDH1A1GAA
SCHEMBL10395363 0.81 LMNA (0.40) CHRNEALDH1A1GAATLR8
SCHEMBL9686690 0.78 PDE4B (0.35) CHRNETLR7
SCHEMBL9687069 0.77 GABRG2 (0.36) CHRNEALDH1A1GAA
SCHEMBL9684766 0.77 CHRNE (0.33) CHRNETLR7TLR8
SCHEMBL9686200 0.76 LMNA (0.36) CHRNEALDH1A1GAA
SCHEMBL10747242 0.76 LMNA (0.37) CHRNEALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0245053-B1 HETEROCYCLIC FUSED TRICYCLIC COMPOUNDS ICI AMERICAS INC. (US) 1992-11-25 — — EP disclosed
US-5118688-A TETRAHYDROPYRIDOQUINOLONE DERIVATIVES USEFUL AS ANXIOLYTIC AGENTS ICI AMERICAS INC. (US) 1992-06-02 — — US disclosed
US-4975435-A Certain 1H-pyrrold[3,4-b]quinolin-1-one-9-amino-2,3-dihydro derivatives useful for treating anxiety ICI AMERICAS INC. (US) 1990-12-04 — — US disclosed
EP-0245053-A1 Heterocyclic fused tricyclic compounds ICI AMERICAS INC. (US) 1987-11-11 — — EP disclosed
Send feedback