SCHEMBL5072797

SCHEMBL5072797

CN1C(=O)C=C[C@@]2(C)C1C(=Cc1cncnc1)C[C@@H]1[C@H]2CC[C@]2(C)C(O)CC[C@@H]12

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.62
KCNH2 Q12809 12/20 0.62

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
SCHEMBL5069429 0.90 AR (0.63) ARKCNH2
SCHEMBL5069411 0.90 AR (0.64) ARKCNH2
SCHEMBL5070943 0.90 AR (0.64) ARKCNH2
SCHEMBL5072845 0.89 AR (0.62) ARKCNH2
SCHEMBL5069384 0.89 AR (0.62) ARKCNH2
SCHEMBL5072844 0.89 AR (0.62) ARKCNH2
SCHEMBL5072801 0.87 AR (0.61) ARKCNH2
SCHEMBL5072800 0.87 AR (0.61) ARKCNH2
SCHEMBL5072802 0.87 AR (0.61) ARKCNH2
SCHEMBL5072789 0.87 AR (0.57) 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