SCHEMBL7596381

SCHEMBL7596381

C[C@@]12CCC[C@H]1[C@@H]1CCC3NC(=O)CC[C@]3(C)[C@H]1CC2

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.57
SRD5A2 P31213 4/20 0.55
AR P10275 1/20 0.50

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
SCHEMBL9352124 1.00 SRD5A1 (0.57) SRD5A1SRD5A2AR
SCHEMBL8721495 1.00 SRD5A1 (0.57) SRD5A1SRD5A2AR
SCHEMBL5007912 1.00 SRD5A1 (0.57) SRD5A1SRD5A2AR
SCHEMBL5007914 1.00 SRD5A1 (0.57) SRD5A1SRD5A2AR
SCHEMBL7788657 0.84 CDK5 (0.45) SRD5A1SRD5A2
SCHEMBL7788660 0.84 CDK5 (0.45) SRD5A1SRD5A2
SCHEMBL15549711 0.81 SRD5A2 (0.53) SRD5A1SRD5A2AR
SCHEMBL9393886 0.80 CDK5 (0.44) SRD5A1
SCHEMBL1948752 0.80 SRD5A2 (0.54) SRD5A1SRD5A2AR
SCHEMBL8134829 0.80 SRD5A2 (0.54) SRD5A1SRD5A2AR

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922770-B1 A microbiological process for the transformation of 17beta-carboxy substituted 3-oxo-4-azasteroids and the use of such products as inhibitors of the enzyme 5alpha-reductase POLI IND CHIMICA SPA (IT) 2002-09-18 EP disclosed
EP-0649306-B1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO INC (US) 2001-01-10 EP disclosed
EP-0641204-B1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO INC (US) 2000-08-16 EP disclosed
EP-0786011-B1 Microbiological process for the preparation of 1-unsaturated 17-beta-carboxysubstituted 3-oxo-4-azaandrostan-3-ones POLI IND CHIMICA SPA (IT) 2000-04-05 EP disclosed
EP-0786011-B1 Microbiological process for the preparation of 1-unsaturated 17-beta-carboxysubstituted 3-oxo-4-azaandrostan-3-ones POLI IND CHIMICA SPA (IT) 2000-04-05 EP disclosed
EP-0922770-A3 A microbiological process for the transformation of 17beta-carboxy substituted 3-oxo-4-azasteroids and the use of such products as inhibitors of the enzyme 5alpha-reductase POLI INDUSTRIA CHIMICA S.p.A. (IT) 1999-06-30 EP disclosed
EP-0922770-A2 A microbiological process for the transformation of 17beta-carboxy substituted 3-oxo-4-azasteroids and the use of such products as inhibitors of the enzyme 5alpha-reductase POLI INDUSTRIA CHIMICA S.p.A. (IT) 1999-06-16 EP disclosed
EP-0922770-A2 A microbiological process for the transformation of 17beta-carboxy substituted 3-oxo-4-azasteroids and the use of such products as inhibitors of the enzyme 5alpha-reductase POLI INDUSTRIA CHIMICA S.p.A. (IT) 1999-06-16 EP disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
EP-0786011-A1 A MICROBIOLOGICAL PROCESS FOR THE PREPARATION OF 17BETA-CARBOXY SUBSTITUTED 3-OXO-4-AZASTEROIDS AND THE USE OF SUCH PRODUCTS AS INHIBITORS OF THE ENZYME 5ALPHA-REDUCTASE POLI INDUSTRIA CHIMICA S.p.A. (IT) 1997-07-30 EP disclosed
EP-0649306-A4 ESTER DERIVATIVES OF 4-AZA-STEROIDS. MERCK & CO INC (US) 1995-08-23 EP disclosed
EP-0649431-A4 17-AMINO SUBSTITUTED 4-AZASTEROID 5-G(A)-REDUCTASE INHIBITORS. 1995-05-03 EP disclosed
EP-0649306-A1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO. INC. (US) 1995-04-26 EP disclosed
EP-0649431-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5$g(a)-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-04-26 EP disclosed
EP-0641204-A1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO. INC. (US) 1995-03-08 EP disclosed
EP-0641211-A1 INHIBITORS OF TESTOSTERONE 5$g(a)-REDUCTASE ACTIVITY ENDORECHERCHE INC. (CA) 1995-03-08 EP disclosed
WO-1993023040-A1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023053-A1 INHIBITORS OF TESTOSTERONE 5α-REDUCTASE ACTIVITY ENDORECHERCHE INC. (CA) 1993-11-25 WO disclosed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023041-A1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO., INC. (US) 1993-11-25 WO disclosed