SCHEMBL2376048

SCHEMBL2376048

CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.72
SRD5A2 P31213 1/20 0.72

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
SCHEMBL13604098 1.00 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL9571051 1.00 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL8021083 0.90 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL4187755 0.90 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL9349878 0.90 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL4187752 0.90 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL13604091 0.90 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL8724807 0.89 SRD5A1 (0.71) SRD5A1SRD5A2
SCHEMBL9348446 0.89 SRD5A1 (0.71) SRD5A1SRD5A2
SCHEMBL9278658 0.89 SRD5A1 (0.68) 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-4377584-A 4-Aza-17β-substituted-5α-androstan-3-one-reductase inhibitors MERCK & CO., INC. (US) 1983-03-22 US claimed
US-8012958-B2 Modulate gene expression of gamma-aminobutyric acid receptors ; antidepressants; psychological disorders; obsessive compulsive disorders ; eating disorders Hythlam, Inc. (US) 2011-09-06 US disclosed
US-20080280885-A1 Methods for Treating Anxiety Related Disorders HYTHIAM, INC. (US) 2008-11-13 US disclosed
US-20080255097-A1 Methods for the Treatment of Substance Abuse and Dependence HYTHIAM, INC. (US) 2008-10-16 US disclosed
US-20080207601-A1 Methods of and Compositions For the Prevention of Anxiety, Substance Abuse, and Dependence HYTHIAM , INC. (US) 2008-08-28 US disclosed
EP-1901727-A2 METHODS FOR THE TREATMENT OF SUBSTANCE ABUSE AND DEPENDENCE Hythiam, Inc. (US) 2008-03-26 EP disclosed
EP-1868593-A2 IMPROVED METHODS OF AND COMPOSITIONS FOR THE PREVENTION OF ANXIETY, SUBSTANCE ABUSE, AND DEPENDENCE Hythiam, Inc. (US) 2007-12-26 EP disclosed
EP-1868432-A2 METHODS FOR TREATING ANXIETY RELATED DISORDERS Hythiam, Inc. (US) 2007-12-26 EP disclosed
WO-2006110580-A2 METHODS FOR TREATING ANXIETY RELATED DISORDERS HYTHIAM, INC. (US) 2006-10-19 WO disclosed
WO-2006110557-A2 METHODS FOR THE TREATMENT OF SUBSTANCE ABUSE AND DEPENDENCE HYTHIAM, INC. (US) 2006-10-19 WO disclosed
WO-2006110642-A2 IMPROVED METHODS OF AND COMPOSITIONS FOR THE PREVENTION OF ANXIETY, SUBSTANCE ABUSE, AND DEPENDENCE HYTHIAM, INC. (US) 2006-10-19 WO disclosed
US-4377584-A 4-Aza-17β-substituted-5α-androstan-3-one-reductase inhibitors MERCK & CO., INC. (US) 1983-03-22 US disclosed