SCHEMBL8495275

SCHEMBL8495275

CN1C(=O)CC[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC[C@@H]12

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.49
SRD5A2 P31213 1/20 0.49

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
SCHEMBL8495272 1.00 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL8495987 0.92 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL8499070 0.92 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL8495992 0.92 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL8495941 0.85 SRD5A1 (0.62) SRD5A1SRD5A2
SCHEMBL8499188 0.85 SRD5A1 (0.62) SRD5A1SRD5A2
SCHEMBL7752596 0.85 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL7752589 0.85 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL8498570 0.84 AR (0.56) SRD5A2
SCHEMBL8498564 0.84 AR (0.56) SRD5A2

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
EP-0649431-B1 17-AMINO SUBSTITUTED 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 1999-08-11 EP claimed
US-5639741-A STEROIDS TREATING SKIN DISORDERS MERCK & CO., INC. (US) 1997-06-17 US claimed
EP-0649431-A4 17-AMINO SUBSTITUTED 4-AZASTEROID 5-G(A)-REDUCTASE INHIBITORS. 1995-05-03 EP claimed
EP-0649431-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5$g(a)-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-04-26 EP claimed
WO-1993023038-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
EP-0649431-B1 17-AMINO SUBSTITUTED 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 1999-08-11 EP 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
US-5639741-A STEROIDS TREATING SKIN DISORDERS MERCK & CO., INC. (US) 1997-06-17 US disclosed