SCHEMBL8157686

SCHEMBL8157686

C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3cccc4ccccc34)CC[C@@H]12

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 15/20 0.66
SRD5A2 P31213 12/20 0.66

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
SCHEMBL8157697 1.00 SRD5A1 (0.66) SRD5A1SRD5A2
SCHEMBL8158493 0.94 SRD5A1 (0.62) SRD5A1SRD5A2
SCHEMBL8016930 0.86 SRD5A1 (0.65) SRD5A1SRD5A2
SCHEMBL8163935 0.85 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8020976 0.85 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL8155921 0.83 SRD5A1 (0.66) SRD5A1SRD5A2
SCHEMBL8155923 0.83 SRD5A1 (0.66) SRD5A1SRD5A2
SCHEMBL8016786 0.80 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL8163312 0.79 SRD5A1 (0.67) SRD5A1SRD5A2
SCHEMBL8163315 0.79 SRD5A1 (0.67) 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 9 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-5710275-A ENZYME AND HORMONE INHIBITORS MERCK & CO., INC. (US) 1998-01-20 US disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
EP-0778284-A2 New 7-beta-substituted-4-aza-5alpha-androstan-3-ones as 5alpha-reductase inhibitors MERCK & CO. INC. (US) 1997-06-11 EP disclosed
EP-0572166-A1 New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP disclosed
US-5162332-A Selected 17 β-polyaroyl-4-aza-5 α-androst-1-en-3-ones as steroidal reductase inhibitors MERCK & CO., INC. (US) 1992-11-10 US disclosed
EP-0462665-A2 Selected 17beta-polyaroyl-4-aza-5alpha-androst-1-en-3-ones as steroidal reductase inhibitors MERCK & CO. INC. (US) 1991-12-27 EP disclosed