SCHEMBL7624258

SCHEMBL7624258

C[C@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=S)c3ccccn3)CC[C@@H]12

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.61
SRD5A1 P18405 3/20 0.61
AR P10275 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
SCHEMBL7142783 1.00 SRD5A2 (0.61) SRD5A2SRD5A1AR
SCHEMBL9129526 0.85 SRD5A2 (0.59) SRD5A2SRD5A1AR
SCHEMBL9542235 0.83 SRD5A1 (0.41) SRD5A2SRD5A1AR
SCHEMBL9542228 0.83 SRD5A1 (0.41) SRD5A2SRD5A1AR
SCHEMBL7622722 0.81 SRD5A2 (0.61) SRD5A2SRD5A1AR
SCHEMBL8543608 0.76 SRD5A2 (0.52) SRD5A2SRD5A1AR
SCHEMBL8543612 0.76 SRD5A2 (0.52) SRD5A2SRD5A1AR
SCHEMBL5907001 0.76 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL14477862 0.76 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL13844000 0.76 SRD5A2 (0.73) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432971-B2 Method of prevention of prostatic carcinoma with 17β-N-monosubstituted-carbamoyl-4-aza-5α-androst-1-en-3-ones MERCK & CO., INC. 2002-08-13 US disclosed
US-6268376-B1 Method of prevention of prostatic carcinoma with 17β-N-monosubstituted-carbamoyl-4-aza-5α-androst-1-en-3-ones MERCK & CO., INC. 2001-07-31 US disclosed
US-6046183-A SYNERGISTIC MIXTURE OF FINASTERIDE AND DOXAZOSIN MERCK & CO., INC. (US) 2000-04-04 US disclosed
US-5629318-A Method of treatment of chronic prostatitis with 17β-N-monosubstituted-carbamoyl-4-aza-5α-androst-1-en-3-ones MERCK & CO., INC. (US) 1997-05-13 US disclosed
US-5571817-A WHICH ARE TESTOSTERONE-REDUCTASE INHIBITORS;TOPICAL APPLICATION MERCK & CO., INC. (US) 1996-11-05 US disclosed