SCHEMBL8065728

SCHEMBL8065728

CN1C(=O)CC[C@@]2(C)C1CC(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 8/20 0.40
SRD5A2 P31213 5/20 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
SCHEMBL8065726 1.00 SRD5A1 (0.40) SRD5A1SRD5A2
SCHEMBL8679739 0.77 SRD5A1 (0.39) SRD5A1SRD5A2
SCHEMBL8679743 0.77 SRD5A1 (0.39) SRD5A1SRD5A2
SCHEMBL8075950 0.76 SRD5A1 (0.55) SRD5A1SRD5A2
SCHEMBL8075952 0.76 SRD5A1 (0.55) SRD5A1SRD5A2
SCHEMBL8076027 0.76 SRD5A1 (0.42) SRD5A1SRD5A2
SCHEMBL8721504 0.76 SRD5A1 (0.42) SRD5A1SRD5A2
SCHEMBL8679373 0.74 SRD5A1 (0.37) SRD5A1
SCHEMBL9005677 0.73 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8996751 0.72 SRD5A1 (0.36) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998009632-A1 METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR MERCK & CO., INC. (US) 1998-03-12 WO claimed
EP-0641204-B1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO INC (US) 2000-08-16 EP disclosed
US-5872126-A ENZYME INHIBITORS FOR TREATMENT OF PREMATURE LABOR MERCK & CO., INC. (US) 1999-02-16 US disclosed
WO-1998009632-A1 METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR MERCK & CO., INC. (US) 1998-03-12 WO disclosed
US-5536727-A TREATMENT OF HYPERANDROGENIC DISEASES MERCK & CO., INC. (US) 1996-07-16 US disclosed
EP-0641204-A4 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS. MERCK & CO INC (US) 1995-08-23 EP disclosed
EP-0641204-A1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO. INC. (US) 1995-03-08 EP disclosed