SCHEMBL13656753

SCHEMBL13656753

CN1C(=O)C=C[C@]2(C)C3CC[C@@]4(C)[C@@H](CC[C@]4(C)O)C3CC[C@@H]12

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.66
KCNH2 Q12809 8/20 0.65

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
SCHEMBL4263954 1.00 AR (0.66) ARKCNH2
SCHEMBL4263950 1.00 AR (0.66) ARKCNH2
SCHEMBL4268807 0.88 AR (0.64) ARKCNH2
SCHEMBL4263697 0.84 AR (0.66) ARKCNH2
SCHEMBL4263701 0.84 AR (0.66) ARKCNH2
SCHEMBL9483050 0.83 AR (0.58) ARKCNH2
SCHEMBL13656780 0.83 AR (0.62) ARKCNH2
SCHEMBL4271006 0.83 AR (0.62) ARKCNH2
SCHEMBL4271012 0.83 AR (0.62) ARKCNH2
SCHEMBL10273975 0.82 AR (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605152-B2 17-hydroxy-4-aza-androstan-3-ones as androgen receptor modulators MERCK & CO., INC. (US) 2009-10-20 US disclosed
US-7605152-B2 17-hydroxy-4-aza-androstan-3-ones as androgen receptor modulators MERCK & CO., INC. (US) 2009-10-20 US disclosed