SCHEMBL5874196

SCHEMBL5874196

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

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.74
SRD5A2 P31213 1/20 0.66
KCNH2 Q12809 5/20 0.66

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
SCHEMBL13403347 1.00 AR (0.74) ARSRD5A2KCNH2
SCHEMBL5247649 1.00 AR (0.74) ARSRD5A2KCNH2
SCHEMBL5116733 0.91 AR (0.74) ARSRD5A2KCNH2
SCHEMBL14013760 0.91 AR (0.74) ARSRD5A2KCNH2
SCHEMBL7615006 0.90 AR (0.72) ARSRD5A2KCNH2
SCHEMBL7614998 0.90 AR (0.72) ARSRD5A2KCNH2
SCHEMBL8150406 0.89 AR (0.67) ARSRD5A2KCNH2
SCHEMBL5247468 0.88 AR (0.58) ARSRD5A2KCNH2
SCHEMBL5339929 0.88 AR (0.58) ARSRD5A2KCNH2
SCHEMBL8410044 0.88 AR (0.70) ARSRD5A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39056-E1 4-Azasteroids for treatment of hyperandrogenic conditions MERCK & CO, INC. (US) 2006-04-04 US disclosed
US-6001844-A 4-Azasteroids for treatment of hyperandrogenic conditions MERCK & CO., INC. (US) 1999-12-14 US disclosed
EP-0484094-B1 Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use SANKYO CO (JP) 1996-06-26 EP disclosed
WO-1994022900-A1 AZA-ANDROSTANE-17β-CARBOXAMIDES CIBA-GEIGY AG (CH) 1994-10-13 WO disclosed
US-5304562-A Inhibitors of 5-alpha-reductase; treating prostate disorders CIBA-GEIGY CORPORATION (US) 1994-04-19 US disclosed
US-5302621-A Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use SANKYO COMPANY, LIMITED (JP) 1994-04-12 US disclosed
US-5237065-A Steroid 5-alpha-reductase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1993-08-17 US disclosed
EP-0277002-B1 STEROID-5-ALPHA-REDUCTASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1992-06-17 EP disclosed
EP-0484094-A2 Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use Sankyo Company Limited (JP) 1992-05-06 EP disclosed
US-5110939-A Antiandrogens SMITHKLINE BEECHAM CORPORATION (US) 1992-05-05 US disclosed
US-4888336-A DECREASE DIHYDROTESTOSTERONE ACTIVITY SMITHKLINE BECKMAN CORPORATION (US) 1989-12-19 US disclosed
EP-0277002-A2 Steroid-5-alpha-reductase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1988-08-03 EP disclosed
US-4220775-A Preparation of 4-aza-17-substituted-5α-androstan-3-ones useful as 5α-reductase inhibitors MERCK & CO., INC. (US) 1980-09-02 US disclosed