SCHEMBL7980873

SCHEMBL7980873

C=C1CCc2cc(-c3cncc(-c4ccc(C#N)cc4)c3)cc3c2N1CC3

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 20/20 0.56
CYP11B1 P15538 19/20 0.56

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
SCHEMBL1883825 0.86 CYP11B1 (0.72) CYP11B2CYP11B1
SCHEMBL1877631 0.86 CYP11B2 (0.59) CYP11B2CYP11B1
SCHEMBL15850917 0.77 CYP11B1 (0.50) CYP11B2CYP11B1
SCHEMBL15850975 0.77 CYP11B1 (0.50) CYP11B2CYP11B1
SCHEMBL1881056 0.74 CYP11B2 (0.60) CYP11B2CYP11B1
SCHEMBL1879367 0.74 CYP11B2 (0.67) CYP11B2CYP11B1
SCHEMBL1875201 0.74 CYP11B2 (0.62) CYP11B2CYP11B1
SCHEMBL1880620 0.74 CYP11B1 (0.71) CYP11B2CYP11B1
SCHEMBL1762367 0.72 CYP11B1 (1.00) CYP11B2CYP11B1
SCHEMBL15850911 0.71 CYP11B2 (0.75) 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
WO-2009135651-A1 6-PYRIDIN-3-YL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN ALDOSTERONE SYNTHASE CYP11B2 UNIVERSITÄT SAARLANDES (DE) 2009-11-12 WO disclosed