SCHEMBL18768626

SCHEMBL18768626

CCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ CXCR4 P61073 2/20 0.45
▸ AKR1C3 P42330 1/20 0.45

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
SCHEMBL18768315 0.90 L3MBTL1 (0.47) MEN1KMT2A
SCHEMBL18768416 0.87 AKR1C3 (0.44) AKR1C3
SCHEMBL18768576 0.87 LMNA (0.47) —
SCHEMBL18767314 0.87 AKR1C3 (0.45) MEN1KMT2AAKR1C3
SCHEMBL18768568 0.87 ACHE (0.45) MEN1KMT2AACHECXCR4AKR1C3
SCHEMBL18768446 0.86 MEN1 (0.45) MEN1KMT2AAKR1C3
SCHEMBL18768367 0.86 BCHE (0.50) —
SCHEMBL18768434 0.85 — —
SCHEMBL18768433 0.85 HRH4 (0.57) AKR1C3
SCHEMBL18768575 0.84 — —

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
WO-2017066705-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AGAINST STRESS GRANULES AQUINNAH PHARMACEUTICALS, INC. (US) 2017-04-20 — — WO disclosed
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