SCHEMBL5070962

SCHEMBL5070962

CN1C(=O)[C@H](F)C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.38
SRD5A2 P31213 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
SCHEMBL4269002 1.00 SRD5A1 (0.38) SRD5A1SRD5A2
SCHEMBL13656790 1.00 SRD5A1 (0.38) SRD5A1SRD5A2
SCHEMBL4269007 1.00 SRD5A1 (0.38) SRD5A1SRD5A2
SCHEMBL13656795 1.00 SRD5A1 (0.38) SRD5A1SRD5A2
SCHEMBL13656788 1.00 SRD5A1 (0.38) SRD5A1SRD5A2
SCHEMBL4273372 0.82 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL13656787 0.82 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL4273368 0.82 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8706742 0.82 SRD5A1 (0.39) SRD5A1SRD5A2
SCHEMBL4272678 0.78 AR (0.50) SRD5A1

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