SCHEMBL807912

SCHEMBL807912

CI(C)c1ccc2c(c1)C(=O)N(c1cnccc1C1CC1)CC2

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 20/20 0.49

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
SCHEMBL15471796 0.86 CYP17A1 (0.52) CYP17A1
SCHEMBL793995 0.84 CYP17A1 (0.52) CYP17A1
SCHEMBL793796 0.81 CYP17A1 (0.58) CYP17A1
SCHEMBL15471855 0.81 CYP17A1 (0.55) CYP17A1
SCHEMBL792837 0.77 CYP17A1 (0.48) CYP17A1
SCHEMBL15467436 0.77 CYP17A1 (0.50) CYP17A1
SCHEMBL793317 0.77 CYP11B1 (0.57) CYP17A1
SCHEMBL793309 0.77 CYP17A1 (0.49) CYP17A1
SCHEMBL794363 0.77 CYP17A1 (0.53) CYP17A1
SCHEMBL12467223 0.77 CYP17A1 (0.49) CYP17A1

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-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed