SCHEMBL8016963

SCHEMBL8016963

CC1CC2NC(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)C(C(=O)O)CC[C@H]3[C@H]12

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.58
SRD5A1 P18405 2/20 0.58
AR P10275 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
SCHEMBL8016958 1.00 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL8016669 1.00 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL7380929 0.91 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL7386216 0.91 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL8478274 0.88 SRD5A2 (0.55) SRD5A2SRD5A1AR
SCHEMBL8478279 0.88 SRD5A2 (0.55) SRD5A2SRD5A1AR
SCHEMBL8892299 0.84 SRD5A1 (0.75) SRD5A2SRD5A1AR
SCHEMBL7755279 0.84 SRD5A1 (0.75) SRD5A2SRD5A1AR
SCHEMBL8016670 0.83 SRD5A2 (0.55) SRD5A2SRD5A1AR
SCHEMBL5907001 0.82 SRD5A2 (0.73) SRD5A2SRD5A1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664812-B1 17-BETA-ARYL ESTER CARBOXYLATES OF 4-AZA-5-ALPHA-ANDROSTANE-3-ONES MERCK & CO INC (US) 2000-01-05 EP claimed
EP-0664812-A4 17 -g(b)-ARYL ESTER CARBOXYLATES OF 4-AZA-5-g(a)-ANDROSTANE-3-ONES. MERCK & CO INC (US) 1995-10-25 EP claimed
EP-0664812-A1 17 $g(b)-ARYL ESTER CARBOXYLATES OF 4-AZA-5$g(a)-ANDROSTANE-3-ONES MERCK & CO. INC. (US) 1995-08-02 EP claimed
WO-1994007860-A1 17 β-ARYL ESTER CARBOXYLATES OF 4-AZA-5α-ANDROSTANE-3-ONES MERCK & CO., INC. (US) 1994-04-14 WO claimed
US-5278159-A Steroid enzyme inhibitor MERCK & CO., INC. (US) 1994-01-11 US claimed
EP-0664812-B1 17-BETA-ARYL ESTER CARBOXYLATES OF 4-AZA-5-ALPHA-ANDROSTANE-3-ONES MERCK & CO INC (US) 2000-01-05 EP disclosed
EP-0748221-B1 7-SUBSTITUTED-4-AZA-STEROID DERIVATIVES AS 5-ALPHA- REDUCTASE INHIBITORS MERCK & CO INC (US) 1999-04-14 EP disclosed
EP-0748221-A1 7-SUBSTITUTED-4-AZA-STEROID DERIVATIVES AS 5-ALPHA- REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1996-12-18 EP disclosed
EP-0748221-A4 7-SUBSTITUTED-4-AZA-STEROID DERIVATIVES AS 5-ALPHA- REDUCTASE INHIBITORS MERCK & CO INC (US) 1996-10-07 EP disclosed
EP-0664812-A4 17 -g(b)-ARYL ESTER CARBOXYLATES OF 4-AZA-5-g(a)-ANDROSTANE-3-ONES. MERCK & CO INC (US) 1995-10-25 EP disclosed
EP-0664812-A1 17 $g(b)-ARYL ESTER CARBOXYLATES OF 4-AZA-5$g(a)-ANDROSTANE-3-ONES MERCK & CO. INC. (US) 1995-08-02 EP disclosed
WO-1995012398-A1 7-SUBSTITUTED-4-AZA-STEROID DERIVATIVES AS 5-ALPHA- REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1995-05-11 WO disclosed
WO-1994007860-A1 17 β-ARYL ESTER CARBOXYLATES OF 4-AZA-5α-ANDROSTANE-3-ONES MERCK & CO., INC. (US) 1994-04-14 WO disclosed
US-5278159-A Steroid enzyme inhibitor MERCK & CO., INC. (US) 1994-01-11 US disclosed