SCHEMBL21535323

SCHEMBL21535323

CC[S+]([O-])NCc1cncc(-c2ccc3c(c2F)CCC(=O)N3C)c1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 20/20 0.41
▸ CYP11B2 P19099 18/20 0.40
▸ CYP1A2 P05177 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
SCHEMBL14789952 0.83 CYP11B1 (0.47) CYP11B1CYP11B2
SCHEMBL31259972 0.83 CYP11B1 (0.47) CYP11B1CYP11B2
SCHEMBL14779758 0.81 CYP11B1 (0.45) CYP11B1CYP11B2CYP1A2
SCHEMBL22004718 0.79 CYP11B2 (0.47) CYP11B1CYP11B2
SCHEMBL21535180 0.76 CYP11B2 (0.45) CYP11B1CYP11B2
SCHEMBL14779757 0.72 CYP11B1 (0.44) CYP11B1CYP11B2CYP1A2
SCHEMBL21535181 0.72 CYP11B2 (0.46) CYP11B1CYP11B2
SCHEMBL21535114 0.69 CYP11B1 (0.57) CYP11B1CYP11B2CYP1A2
SCHEMBL22004725 0.69 CYP11B2 (0.50) CYP11B1CYP11B2
SCHEMBL21535348 0.68 CYP11B1 (0.56) 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 2 patents. 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
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 — — EP disclosed
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