SCHEMBL31259986

SCHEMBL31259986

CN1C(=O)CCc2cc(-c3cncc(CNC(=O)c4cnoc4C4CC4)c3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 20/20 0.51
▸ CYP11B2 P19099 20/20 0.51
▸ 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
SCHEMBL14789859 1.00 CYP11B1 (0.51) CYP11B1CYP11B2CYP1A2
SCHEMBL14789857 0.88 CYP11B1 (0.54) CYP11B1CYP11B2CYP1A2
SCHEMBL31260101 0.88 CYP11B1 (0.54) CYP11B1CYP11B2CYP1A2
SCHEMBL31260134 0.87 CYP11B1 (0.51) CYP11B1CYP11B2CYP1A2
SCHEMBL14789900 0.87 CYP11B1 (0.51) CYP11B1CYP11B2CYP1A2
SCHEMBL22004755 0.86 CYP11B1 (0.49) CYP11B1CYP11B2CYP1A2
SCHEMBL14789864 0.85 CYP11B1 (0.51) CYP11B1CYP11B2CYP1A2
SCHEMBL31260007 0.85 CYP11B1 (0.51) CYP11B1CYP11B2CYP1A2
SCHEMBL14789849 0.81 CYP11B1 (0.47) CYP11B1CYP11B2CYP1A2
SCHEMBL31260120 0.81 CYP11B1 (0.53) 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-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2025-01-08 — — EP disclosed
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