SCHEMBL8725596

SCHEMBL8725596

CC(=O)c1ccc(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.61
SRD5A2 P31213 2/20 0.61
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52

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
SCHEMBL8722297 0.91 SRD5A1 (0.62) SRD5A1SRD5A2CA1CA2
SCHEMBL8726812 0.90 SRD5A1 (0.62) SRD5A1SRD5A2CA1CA2
SCHEMBL8075616 0.90 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8678198 0.88 SRD5A1 (0.62) SRD5A1SRD5A2CA1CA2
SCHEMBL8724401 0.86 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL8721500 0.85 SRD5A1 (0.58) SRD5A1SRD5A2CA1CA2
SCHEMBL8721487 0.85 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL8721482 0.85 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL8723262 0.83 SRD5A1 (0.59) SRD5A1SRD5A2
SCHEMBL8543379 0.82 SRD5A1 (0.75) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510485-A PREGNANES OR ANDROSTANES; ANTIANDROGENS, HORMONE INHIBITORS MERCK & CO., INC. (US) 1996-04-23 US claimed
EP-0641209-A4 NEW 17-ESTER, AMIDE, AND KETONE DERIVATIVES OF 3-OXO-4-AZASTEROIDS AS 5A-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-08-23 EP claimed
EP-0641209-A1 NEW 17-ESTER, AMIDE, AND KETONE DERIVATIVES OF 3-OXO-4-AZASTEROIDS AS 5A-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-03-08 EP claimed
WO-1993023051-A1 NEW 17-ESTER, AMIDE, AND KETONE DERIVATIVES OF 3-OXO-4-AZASTEROIDS AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
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
US-5510485-A PREGNANES OR ANDROSTANES; ANTIANDROGENS, HORMONE INHIBITORS MERCK & CO., INC. (US) 1996-04-23 US disclosed
EP-0641209-A4 NEW 17-ESTER, AMIDE, AND KETONE DERIVATIVES OF 3-OXO-4-AZASTEROIDS AS 5A-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-08-23 EP disclosed
EP-0641209-A1 NEW 17-ESTER, AMIDE, AND KETONE DERIVATIVES OF 3-OXO-4-AZASTEROIDS AS 5A-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-03-08 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
WO-1993023051-A1 NEW 17-ESTER, AMIDE, AND KETONE DERIVATIVES OF 3-OXO-4-AZASTEROIDS AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023420-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed