SCHEMBL7749994

SCHEMBL7749994

CC(=O)OCC1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.59
SRD5A2 P31213 1/20 0.59

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
SCHEMBL7749990 1.00 SRD5A1 (0.59) SRD5A1SRD5A2
SCHEMBL7751285 0.93 SRD5A1 (0.55) SRD5A1SRD5A2
SCHEMBL7750330 0.89 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8722259 0.89 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8722257 0.89 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL7750334 0.89 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8065489 0.87 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL8065487 0.87 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL7745331 0.86 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL7745372 0.86 SRD5A2 (0.60) 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
EP-0649306-B1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO INC (US) 2001-01-10 EP claimed
EP-0649306-A4 ESTER DERIVATIVES OF 4-AZA-STEROIDS. MERCK & CO INC (US) 1995-08-23 EP claimed
EP-0649306-A1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO. INC. (US) 1995-04-26 EP claimed
WO-1993023041-A1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO., INC. (US) 1993-11-25 WO claimed
EP-0649306-B1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO INC (US) 2001-01-10 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
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-0649306-A4 ESTER DERIVATIVES OF 4-AZA-STEROIDS. MERCK & CO INC (US) 1995-08-23 EP disclosed
EP-0649306-A1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO. INC. (US) 1995-04-26 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-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
WO-1993023041-A1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO., INC. (US) 1993-11-25 WO disclosed