SCHEMBL7965185

SCHEMBL7965185

COc1ccc(-c2cncc(-c3cc4c5c(c3)CCN5C(=O)CC4)c2)cc1C

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 20/20 0.72
CYP11B2 P19099 20/20 0.72

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
SCHEMBL1880047 0.91 CYP11B1 (0.76) CYP11B1CYP11B2
SCHEMBL6915132 0.88 CYP11B1 (0.76) CYP11B1CYP11B2
SCHEMBL7980638 0.87 CYP11B1 (0.55) CYP11B1CYP11B2
SCHEMBL1875123 0.86 CYP11B1 (0.76) CYP11B1CYP11B2
SCHEMBL1762215 0.84 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL1762348 0.83 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL1762436 0.81 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL1762338 0.80 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL14819205 0.79 CYP11B1 (0.76) CYP11B1CYP11B2
SCHEMBL1762320 0.78 CYP11B1 (1.00) CYP11B1CYP11B2

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