SCHEMBL5069448

SCHEMBL5069448

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

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.61
SRD5A2 P31213 1/20 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
SCHEMBL7750012 0.91 SRD5A1 (0.63) SRD5A1SRD5A2
SCHEMBL7750020 0.91 SRD5A1 (0.63) SRD5A1SRD5A2
SCHEMBL14027920 0.87 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL8541823 0.86 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8541819 0.86 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8545251 0.86 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL8063914 0.86 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8063913 0.86 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8996735 0.85 HSD17B7 (0.70) SRD5A1SRD5A2
SCHEMBL8724745 0.85 SRD5A1 (0.57) SRD5A1SRD5A2

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