SCHEMBL798567

SCHEMBL798567

Nc1cc2c(cc1F)CCN(c1cnccc1C1CC1)C2

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 20/20 0.44

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
SCHEMBL793893 0.81 CYP11B2 (0.37)
SCHEMBL792837 0.78 CYP17A1 (0.48) CYP17A1
SCHEMBL793437 0.77 CYP17A1 (0.50) CYP17A1
SCHEMBL27901812 0.76 CYP17A1 (0.42) CYP17A1
SCHEMBL793474 0.71 CYP11B2 (0.41) CYP17A1
SCHEMBL793317 0.69 CYP11B1 (0.57) CYP17A1
SCHEMBL27919592 0.68 CYP17A1 (0.43) CYP17A1
SCHEMBL794363 0.66 CYP17A1 (0.53) CYP17A1
SCHEMBL9192064 0.66 EED (0.62)
SCHEMBL10286388 0.65 CYP17A1 (0.45) 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 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