SCHEMBL7380929

SCHEMBL7380929

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

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.58
SRD5A1 P18405 2/20 0.58
AR P10275 1/20 0.48
SERPINA6 P08185 1/20 0.47

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
SCHEMBL7386216 1.00 SRD5A2 (0.58) SRD5A2SRD5A1ARSERPINA6
SCHEMBL8016958 0.91 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL8016963 0.91 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL8016669 0.91 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL8478274 0.88 SRD5A2 (0.55) SRD5A2SRD5A1AR
SCHEMBL8478279 0.88 SRD5A2 (0.55) SRD5A2SRD5A1AR
SCHEMBL28559933 0.82 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL14360068 0.82 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL14477862 0.82 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL8892299 0.82 SRD5A1 (0.75) SRD5A2SRD5A1AR

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
EP-0862556-B1 17-ALKYL-7-SUBSTITUTED-4-AZA STEROID DERIVATIVES MERCK & CO INC (US) 2001-09-05 EP disclosed
US-5872126-A ENZYME INHIBITORS FOR TREATMENT OF PREMATURE LABOR MERCK & CO., INC. (US) 1999-02-16 US disclosed
EP-0862556-A4 17-ALKYL-7-SUBSTITUTED-4-AZA STEROID DERIVATIVES MERCK & CO INC (US) 1999-02-03 EP disclosed
WO-1998041211-A1 METHODS AND COMPOSITIONS FOR TREATING POLYCYSTIC OVARY SYNDROME MERCK & CO., INC. (US) 1998-09-24 WO disclosed
EP-0862556-A1 17-ALKYL-7-SUBSTITUTED-4-AZA STEROID DERIVATIVES Merck & Co., Inc. (US) 1998-09-09 EP disclosed
WO-1998025622-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND TREATING BONE LOSS MERCK & CO., INC. (US) 1998-06-18 WO disclosed
US-5763361-A 17-alkyl-7-substituted-4-aza steroid derivatives as 5-α-reductase inhibitors MERCK & CO., INC. (US) 1998-06-09 US disclosed
EP-0711164-B1 4-AZA-PREGNANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO INC (US) 1997-09-17 EP disclosed
US-5658922-A 4-aza-pregnane 5α-reductase isozyme 1 inhibitors MERCK & CO., INC. (US) 1997-08-19 US disclosed
WO-1997015558-A1 17-ALKYL-7-SUBSTITUTED-4-AZA STEROID DERIVATIVES MERCK & CO., INC. (US) 1997-05-01 WO disclosed
EP-0711164-A4 4-AZA-PREGNANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO INC (US) 1996-07-03 EP disclosed
EP-0711164-A1 4-AZA-PREGNANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO INC (US) 1996-05-15 EP disclosed
WO-1995000147-A1 4-AZA-PREGNANE 5α-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO., INC. (US) 1995-01-05 WO disclosed