SCHEMBL8347553

SCHEMBL8347553

CC1CC2NC(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)C(C(=O)NC(c4ccccc4)c4ccccc4)CC[C@H]3[C@H]12

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 11/20 0.56
SRD5A1 P18405 5/20 0.56
AR P10275 1/20 0.56

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
SCHEMBL7755279 0.86 SRD5A1 (0.75) SRD5A2SRD5A1AR
SCHEMBL8892299 0.86 SRD5A1 (0.75) SRD5A2SRD5A1AR
SCHEMBL9022319 0.86 SRD5A2 (0.75) SRD5A2SRD5A1AR
SCHEMBL9022310 0.86 SRD5A2 (0.75) SRD5A2SRD5A1AR
SCHEMBL8353236 0.83 SRD5A1 (0.56) SRD5A2SRD5A1
SCHEMBL9021941 0.82 SRD5A2 (0.69) SRD5A2SRD5A1AR
SCHEMBL9021951 0.82 SRD5A2 (0.69) SRD5A2SRD5A1AR
SCHEMBL9022187 0.82 SRD5A2 (0.68) SRD5A2SRD5A1AR
SCHEMBL9022179 0.82 SRD5A2 (0.68) SRD5A2SRD5A1AR
SCHEMBL8016669 0.81 SRD5A2 (0.58) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748221-B1 7-SUBSTITUTED-4-AZA-STEROID DERIVATIVES AS 5-ALPHA- REDUCTASE INHIBITORS MERCK & CO INC (US) 1999-04-14 EP claimed
US-5872126-A ENZYME INHIBITORS FOR TREATMENT OF PREMATURE LABOR MERCK & CO., INC. (US) 1999-02-16 US claimed
WO-1998009632-A1 METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR MERCK & CO., INC. (US) 1998-03-12 WO claimed
EP-0748221-A1 7-SUBSTITUTED-4-AZA-STEROID DERIVATIVES AS 5-ALPHA- REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1996-12-18 EP claimed
EP-0748221-A4 7-SUBSTITUTED-4-AZA-STEROID DERIVATIVES AS 5-ALPHA- REDUCTASE INHIBITORS MERCK & CO INC (US) 1996-10-07 EP claimed
WO-1995012398-A1 7-SUBSTITUTED-4-AZA-STEROID DERIVATIVES AS 5-ALPHA- REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1995-05-11 WO claimed
EP-0748221-B1 7-SUBSTITUTED-4-AZA-STEROID DERIVATIVES AS 5-ALPHA- REDUCTASE INHIBITORS MERCK & CO INC (US) 1999-04-14 EP disclosed
US-5872126-A ENZYME INHIBITORS FOR TREATMENT OF PREMATURE LABOR MERCK & CO., INC. (US) 1999-02-16 US 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
WO-1995012398-A1 7-SUBSTITUTED-4-AZA-STEROID DERIVATIVES AS 5-ALPHA- REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1995-05-11 WO disclosed