SCHEMBL8353259

SCHEMBL8353259

CC1CC2N(C)C(=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 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 8/20 0.53
SRD5A1 P18405 6/20 0.53

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
SCHEMBL8893541 0.86 SRD5A2 (0.53) SRD5A2SRD5A1
SCHEMBL9023109 0.86 SRD5A2 (0.60) SRD5A2SRD5A1
SCHEMBL8893558 0.86 SRD5A2 (0.53) SRD5A2SRD5A1
SCHEMBL9023101 0.86 SRD5A2 (0.60) SRD5A2SRD5A1
SCHEMBL8347072 0.83 SRD5A2 (0.49) SRD5A2SRD5A1
SCHEMBL9022361 0.83 SRD5A2 (0.56) SRD5A2SRD5A1
SCHEMBL9022353 0.83 SRD5A2 (0.56) SRD5A2SRD5A1
SCHEMBL8740857 0.82 SRD5A1 (0.63) SRD5A2SRD5A1
SCHEMBL9022342 0.82 SRD5A2 (0.57) SRD5A2SRD5A1
SCHEMBL9022345 0.82 SRD5A2 (0.57) SRD5A2SRD5A1

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
WO-1998009632-A1 METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR MERCK & CO., INC. (US) 1998-03-12 WO 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