SCHEMBL22004725

SCHEMBL22004725

CC[S+]([O-])NCc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 20/20 0.50
▸ CYP11B1 P15538 18/20 0.50

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
SCHEMBL31260031 0.89 CYP11B2 (0.50) CYP11B2CYP11B1
SCHEMBL14789957 0.89 CYP11B2 (0.50) CYP11B2CYP11B1
SCHEMBL14780111 0.85 CYP11B2 (0.56) CYP11B2CYP11B1
SCHEMBL21535320 0.83 CYP11B2 (0.52) CYP11B2CYP11B1
SCHEMBL14789941 0.83 CYP11B2 (0.60) CYP11B2CYP11B1
SCHEMBL14780107 0.83 CYP11B1 (0.53) CYP11B2CYP11B1
SCHEMBL14780270 0.82 CYP11B2 (0.61) CYP11B2CYP11B1
SCHEMBL14780402 0.81 CYP11B1 (0.58) CYP11B2CYP11B1
Hydrochloric Acid SCHEMBL14780032 0.80 CYP11B1 (0.57) CYP11B2CYP11B1
SCHEMBL31259988 0.80 CYP11B2 (0.50) 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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