SCHEMBL792904

SCHEMBL792904

CCOc1ccc2c(c1)CCN(c1cnccc1C)C2=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.44
CYP11B1 P15538 4/20 0.44
CYP19A1 P11511 2/20 0.44
AOC3 Q16853 14/20 0.44
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41

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
SCHEMBL793336 0.88 CYP19A1 (0.45) CYP11B2CYP11B1CYP19A1AOC3
SCHEMBL15466773 0.83 CYP11B2 (0.47) CYP11B2CYP11B1AOC3
SCHEMBL793824 0.82 CYP11B2 (0.46) CYP11B2CYP11B1CYP19A1
SCHEMBL793106 0.81 CYP11B2 (0.48) CYP11B2CYP11B1CYP19A1
SCHEMBL807995 0.80 CYP11B2 (0.42) CYP11B2CYP11B1
SCHEMBL807968 0.79 F10 (0.41)
SCHEMBL793208 0.79 CYP19A1 (0.44) CYP11B2CYP11B1CYP19A1
SCHEMBL793461 0.78 CYP11B2 (0.43) CYP11B2CYP11B1CYP19A1
SCHEMBL798870 0.78 CYP11B2 (0.47) CYP11B2CYP11B1CYP19A1
SCHEMBL807794 0.77 KMT2A (0.51) CYP11B2CYP11B1CYP19A1

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-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed