SCHEMBL4661935

SCHEMBL4661935

CN1C(=O)C(N2CCOCC2)=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CC(N)=O)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.41
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4660725 0.81 AR (0.38) ARKCNH2
SCHEMBL14520926 0.77 AR (0.69) ARKCNH2
SCHEMBL5069359 0.77 MBOAT4 (0.43) ARKCNH2
SCHEMBL3505438 0.74 AR (0.52) ARKCNH2
SCHEMBL13403488 0.74 AR (0.52) ARKCNH2
SCHEMBL13403487 0.71 AR (0.54) ARKCNH2
SCHEMBL3505163 0.71 AR (0.54) ARKCNH2
SCHEMBL4662786 0.68 AR (0.58) ARKCNH2
SCHEMBL3505743 0.68 AR (0.70) ARKCNH2
SCHEMBL13403339 0.68 AR (0.70) 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-1641761-A4 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2008-05-14 EP claimed
EP-1641761-A2 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-04-05 EP claimed
WO-2005004807-A2 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-01-20 WO claimed