SCHEMBL5874343

SCHEMBL5874343

CN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(C(=O)Nc3cccc4ccccc34)CC[C@@H]12

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.75
SRD5A1 P18405 7/20 0.70
SRD5A2 P31213 3/20 0.70

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
SCHEMBL917112 0.89 AR (0.79) ARSRD5A1SRD5A2
SCHEMBL7239501 0.88 AR (0.78) ARSRD5A1SRD5A2
SCHEMBL14504019 0.88 AR (0.78) ARSRD5A1SRD5A2
SCHEMBL7080268 0.88 AR (0.78) ARSRD5A1SRD5A2
SCHEMBL915861 0.88 AR (0.80) ARSRD5A1SRD5A2
SCHEMBL917166 0.88 AR (0.78) ARSRD5A1SRD5A2
SCHEMBL5215286 0.88 AR (0.80) ARSRD5A1SRD5A2
SCHEMBL5219959 0.87 AR (0.75) ARSRD5A1SRD5A2
SCHEMBL917806 0.87 AR (0.75) ARSRD5A1SRD5A2
SCHEMBL5214319 0.86 AR (0.65) ARSRD5A1SRD5A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859761-A4 4-AZASTEROIDS FOR TREATMENT OF HYPERANDROGENIC CONDITIONS MERCK & CO INC (US) 2000-01-26 EP claimed
EP-0859761-A1 4-AZASTEROIDS FOR TREATMENT OF HYPERANDROGENIC CONDITIONS Merck & Co., Inc. (US) 1998-08-26 EP claimed
WO-1997010217-A1 4-AZASTEROIDS FOR TREATMENT OF HYPERANDROGENIC CONDITIONS MERCK & CO., INC. (US) 1997-03-20 WO claimed
US-RE39056-E1 4-Azasteroids for treatment of hyperandrogenic conditions MERCK & CO, INC. (US) 2006-04-04 US disclosed
EP-0859761-A4 4-AZASTEROIDS FOR TREATMENT OF HYPERANDROGENIC CONDITIONS MERCK & CO INC (US) 2000-01-26 EP disclosed
US-6001844-A 4-Azasteroids for treatment of hyperandrogenic conditions MERCK & CO., INC. (US) 1999-12-14 US disclosed
EP-0859761-A1 4-AZASTEROIDS FOR TREATMENT OF HYPERANDROGENIC CONDITIONS Merck & Co., Inc. (US) 1998-08-26 EP disclosed
WO-1997010217-A1 4-AZASTEROIDS FOR TREATMENT OF HYPERANDROGENIC CONDITIONS MERCK & CO., INC. (US) 1997-03-20 WO disclosed