SCHEMBL7745355

SCHEMBL7745355

CC(CO)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.76
SRD5A2 P31213 2/20 0.76

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
SCHEMBL8803527 1.00 SRD5A1 (0.76) SRD5A1SRD5A2
SCHEMBL7745357 1.00 SRD5A1 (0.76) SRD5A1SRD5A2
SCHEMBL8074083 0.89 SRD5A1 (0.76) SRD5A1SRD5A2
SCHEMBL8074079 0.89 SRD5A1 (0.76) SRD5A1SRD5A2
SCHEMBL8723441 0.88 SRD5A1 (0.71) SRD5A1SRD5A2
SCHEMBL8075915 0.88 SRD5A1 (0.74) SRD5A1SRD5A2
SCHEMBL8075912 0.88 SRD5A1 (0.74) SRD5A1SRD5A2
SCHEMBL7751364 0.87 SRD5A1 (0.70) SRD5A1SRD5A2
SCHEMBL7751370 0.87 SRD5A1 (0.70) SRD5A1SRD5A2
SCHEMBL8080030 0.87 SRD5A1 (0.73) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4377584-A 4-Aza-17β-substituted-5α-androstan-3-one-reductase inhibitors MERCK & CO., INC. (US) 1983-03-22 US claimed
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
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
US-5610162-A ENZYME INHIBITORS MERCK & CO., INC. (US) 1997-03-11 US 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-0649306-A4 ESTER DERIVATIVES OF 4-AZA-STEROIDS. MERCK & CO INC (US) 1995-08-23 EP disclosed
EP-0649306-A1 ESTER DERIVATIVES OF 4-AZA-STEROIDS 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
WO-1993023041-A1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO., INC. (US) 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-1993023040-A1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO., INC. (US) 1993-11-25 WO disclosed