SCHEMBL5070296

SCHEMBL5070296

CC(=C1C[C@H]2[C@@H]3CCC4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]2(C)C1O)c1ncc[nH]1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.61
KCNH2 Q12809 13/20 0.61

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
SCHEMBL4278515 1.00 AR (0.61) ARKCNH2
SCHEMBL5071129 0.84 AR (0.61) ARKCNH2
SCHEMBL5071125 0.84 AR (0.61) ARKCNH2
SCHEMBL4266361 0.84 AR (0.61) ARKCNH2
SCHEMBL4270452 0.84 AR (0.73) ARKCNH2
SCHEMBL4270460 0.84 AR (0.73) ARKCNH2
SCHEMBL5070199 0.78 AR (0.54) ARKCNH2
SCHEMBL5069357 0.78 AR (0.54) ARKCNH2
SCHEMBL13656769 0.77 AR (0.74) ARKCNH2
SCHEMBL4272085 0.76 AR (1.00) ARKCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467739-A4 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2008-01-09 EP claimed
EP-1467739-A2 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-10-20 EP claimed
WO-2003059293-A2 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-07-24 WO claimed