SCHEMBL8075596

SCHEMBL8075596

CN(C)c1ccc(COCC2CC[C@H]3[C@@H]4CCC5N(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 9/20 0.52
SRD5A2 P31213 4/20 0.52
HSD17B7 P56937 1/20 0.50

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
SCHEMBL8075592 1.00 SRD5A1 (0.52) SRD5A1SRD5A2HSD17B7
SCHEMBL8075594 0.88 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL8075598 0.88 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL8073302 0.87 SRD5A1 (0.55) SRD5A1SRD5A2HSD17B7
SCHEMBL8073307 0.87 SRD5A1 (0.55) SRD5A1SRD5A2HSD17B7
SCHEMBL8065743 0.87 SRD5A1 (0.49) SRD5A1SRD5A2HSD17B7
SCHEMBL8065744 0.87 SRD5A1 (0.49) SRD5A1SRD5A2HSD17B7
SCHEMBL8076028 0.85 SRD5A1 (0.55) SRD5A1SRD5A2
SCHEMBL8076024 0.85 SRD5A1 (0.55) SRD5A1SRD5A2
SCHEMBL8074967 0.84 SRD5A1 (0.49) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998009632-A1 METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR MERCK & CO., INC. (US) 1998-03-12 WO claimed
EP-0641204-B1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO INC (US) 2000-08-16 EP disclosed
US-5872126-A ENZYME INHIBITORS FOR TREATMENT OF PREMATURE LABOR MERCK & CO., INC. (US) 1999-02-16 US disclosed
WO-1998009632-A1 METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR MERCK & CO., INC. (US) 1998-03-12 WO 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
US-5536727-A TREATMENT OF HYPERANDROGENIC DISEASES MERCK & CO., INC. (US) 1996-07-16 US 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