SCHEMBL22005290

SCHEMBL22005290

CN1c2ccc(-c3cncc(CNC(=O)C(C)(C)O)c3)cc2CCC1O

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 19/20 0.51
▸ CYP11B1 P15538 14/20 0.39
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36

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
SCHEMBL14779494 0.83 CYP11B2 (0.57) CYP11B2CYP11B1
SCHEMBL21535156 0.81 CYP11B2 (0.40) CYP11B2CYP11B1GSK3B
SCHEMBL22004587 0.80 CYP11B2 (0.41) CYP11B2CYP11B1
SCHEMBL22004705 0.80 CYP11B2 (0.46) CYP11B2CYP11B1
SCHEMBL22004749 0.79 CYP11B2 (0.39) CYP11B2CYP11B1GSK3B
SCHEMBL21535153 0.77 KLKB1 (0.38) CYP11B2CYP11B1
SCHEMBL21535345 0.76 MAPK1 (0.39) CYP11B2CYP11B1
SCHEMBL22004689 0.75 CYP11B1 (0.42) CYP11B2CYP11B1
SCHEMBL21535354 0.73 PDK1 (0.46) CYP11B2CYP11B1
SCHEMBL14789813 0.71 CYP11B1 (0.57) CYP11B2CYP11B1

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
EP-3653618-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-05-20 — — EP disclosed
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