SCHEMBL8152767

SCHEMBL8152767

C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(O)c3ccccc3)CC[C@@H]12

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 13/20 0.62
SRD5A2 P31213 8/20 0.62

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
SCHEMBL8152768 1.00 SRD5A1 (0.62) SRD5A1SRD5A2
SCHEMBL7745362 0.86 SRD5A1 (0.71) SRD5A1SRD5A2
SCHEMBL7745364 0.86 SRD5A1 (0.71) SRD5A1SRD5A2
SCHEMBL8158132 0.82 SRD5A1 (0.70) SRD5A1SRD5A2
SCHEMBL9022251 0.81 SRD5A1 (0.73) SRD5A1SRD5A2
SCHEMBL9022936 0.81 SRD5A1 (0.73) SRD5A1SRD5A2
SCHEMBL9021959 0.81 SRD5A1 (0.73) SRD5A1SRD5A2
SCHEMBL9022932 0.81 SRD5A1 (0.73) SRD5A1SRD5A2
SCHEMBL9441274 0.81 SRD5A1 (0.73) SRD5A1SRD5A2
SCHEMBL9021954 0.81 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6046183-A SYNERGISTIC MIXTURE OF FINASTERIDE AND DOXAZOSIN MERCK & CO., INC. (US) 2000-04-04 US disclosed
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 US disclosed
US-5753641-A SYNERGISTIC THERAPY COMPRISING FINASTERIDE AND TERAZOSIN DRUGS MERCK & CO., INC. (US) 1998-05-19 US disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
EP-0576603-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO. INC. (US) 1994-01-05 EP disclosed
WO-1993014762-A1 17β-HYDROXYBENZOYL-4-AZA-5α-ANDROST-1-EN-3-ONES USEFUL TO TREAT BALDNESS MERCK & CO., INC. (US) 1993-08-05 WO disclosed
WO-1992018132-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1992-10-29 WO disclosed
WO-1992016213-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed
US-5098908-A 17β-hydroxybenzoyl-4-aza-5α-androst-1-en-3-ones as testosterone reductase inhibitors MERCK & CO., INC. (US) 1992-03-24 US disclosed
EP-0462661-A2 Novel 17beta-hydroxybenzoyl-4-aza-5alpha-androst-1-en-3-ones as testosterone reductase inhibitors MERCK & CO. INC. (US) 1991-12-27 EP disclosed