SCHEMBL7904809

SCHEMBL7904809

CN1C(=O)CC[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)CC(OC(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]12

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.54
POLB P06746 1/20 0.47
SRD5A2 P31213 1/20 0.45

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
SCHEMBL7904782 0.87 POLB (0.46) SRD5A1POLBSRD5A2
SCHEMBL916288 0.78 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL7750872 0.77 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL7750876 0.77 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8903176 0.77 SRD5A1 (0.62) SRD5A1SRD5A2
SCHEMBL8903182 0.77 SRD5A1 (0.62) SRD5A1SRD5A2
SCHEMBL917210 0.76 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL917154 0.76 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL917216 0.76 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL917114 0.74 SRD5A1 (0.46) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6204273-B1 TREATMENT OF ANDROGENIC SENSITIVE DISORDERS SUCH AS ACNE VULGARIS, SEBORRHEA, FEMALE HIRSUTISM, MALE PATTERN BALDNESS, AND BENIGN PROSTATIC HYPERPLASIA. MERCK & CO., INC. 2001-03-20 US disclosed
US-5910497-A 16-pyrazinyl-substituted-4-aza-androstane 5-α-reductase isozyme 1 inhibitors MERCK & CO., INC. (US) 1999-06-08 US disclosed
EP-0786999-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1999-01-20 EP disclosed
EP-0724592-B1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO INC (US) 1999-01-07 EP disclosed
EP-0792371-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1998-12-30 EP disclosed
US-5739137-A 16-substituted-4-aza-3-oxo-androstane as 5-alpha-reductase isozyme 1 inhibitors MERCK & CO., INC. (US) 1998-04-14 US disclosed
US-5719158-A 16-substituted-4-aza-androstane 5-alpha-reductase isozyme 1 inhibitors MERCK & CO., INC. (US) 1998-02-17 US disclosed
EP-0792371-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-09-03 EP disclosed
EP-0786999-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-08-06 EP disclosed
US-5543417-A 5 Alpha-reductase inhibitor and at least one of an antibacterial agent, a keratolytic agent or an anti-inflammatory agent MERCK & CO., INC. (US) 1996-08-06 US disclosed
WO-1996012487-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO disclosed
WO-1996012817-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO disclosed