SCHEMBL31259972

SCHEMBL31259972

CCS(=O)(=O)NCc1cncc(-c2ccc3c(c2F)CCC(=O)N3C)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 15/20 0.47
▸ CYP11B2 P19099 19/20 0.45
▸ CYP19A1 P11511 1/20 0.40

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 1.00 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1
SCHEMBL21535323 0.83 CYP11B1 (0.41) CYP11B1CYP11B2
SCHEMBL14779758 0.83 CYP11B1 (0.45) CYP11B1CYP11B2
SCHEMBL31260117 0.82 CYP11B1 (0.58) CYP11B1CYP11B2
SCHEMBL14789763 0.82 CYP11B1 (0.58) CYP11B1CYP11B2
SCHEMBL14789761 0.80 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1
SCHEMBL31259934 0.78 CYP11B2 (0.47) CYP11B1CYP11B2CYP19A1
SCHEMBL14789797 0.78 CYP11B2 (0.47) CYP11B1CYP11B2CYP19A1
SCHEMBL14789948 0.78 CYP11B2 (0.55) CYP11B1CYP11B2CYP19A1
SCHEMBL31260049 0.78 CYP11B2 (0.55) CYP11B1CYP11B2CYP19A1

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
Send feedback