SCHEMBL5316617

SCHEMBL5316617

COC1CCCC1C.Cn1ccc(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 4/20 0.41
▸ CYP3A4 P08684 6/20 0.35
▸ CYP2C19 P33261 4/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SLC18A3 Q16572 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PSEN1 P49768 1/20 0.30
▸ PSEN2 P49810 1/20 0.30
▸ APH1B Q8WW43 1/20 0.30
▸ NCSTN Q92542 1/20 0.30
▸ APH1A Q96BI3 1/20 0.30
▸ PSENEN Q9NZ42 1/20 0.30
▸ CYP19A1 P11511 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
SCHEMBL1357553 0.73 — —
SCHEMBL13190305 0.71 — —
SCHEMBL13006660 0.71 — —
SCHEMBL684416 0.71 — —
SCHEMBL18611201 0.71 — —
SCHEMBL5048608 0.71 — —
SCHEMBL768045 0.71 — —
SCHEMBL13006652 0.71 — —
SCHEMBL1911328 0.71 — —
SCHEMBL23437396 0.67 — —

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
EP-1833800-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS AstraZeneca AB (SE) 2007-09-19 — — EP disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 — — WO disclosed
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