SCHEMBL22004765

SCHEMBL22004765

CN1C(=O)CCc2cc(-c3cncc(CN[S+]([O-])c4ccc(Cl)nc4)c3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 20/20 0.56
▸ CYP11B2 P19099 20/20 0.56
▸ CYP1A2 P05177 1/20 0.48

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
SCHEMBL21535303 0.88 CYP11B1 (0.58) CYP11B1CYP11B2CYP1A2
SCHEMBL21535296 0.86 CYP11B1 (0.62) CYP11B1CYP11B2CYP1A2
SCHEMBL21535347 0.85 CYP11B1 (0.54) CYP11B1CYP11B2CYP1A2
SCHEMBL21535114 0.83 CYP11B1 (0.57) CYP11B1CYP11B2CYP1A2
SCHEMBL31259958 0.82 CYP11B1 (0.58) CYP11B1CYP11B2CYP1A2
SCHEMBL14789909 0.82 CYP11B1 (0.58) CYP11B1CYP11B2CYP1A2
SCHEMBL21535348 0.80 CYP11B1 (0.56) CYP11B1CYP11B2CYP1A2
SCHEMBL21535349 0.79 CYP11B1 (0.51) CYP11B1CYP11B2CYP1A2
SCHEMBL21518700 0.78 CYP11B1 (0.66) CYP11B1CYP11B2CYP1A2
SCHEMBL14778695 0.78 CYP11B1 (0.69) CYP11B1CYP11B2CYP1A2

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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