SCHEMBL8353236

SCHEMBL8353236

CC1CC2NC(=O)C=C[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 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 20/20 0.56
SRD5A2 P31213 7/20 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
SCHEMBL9022095 0.85 SRD5A1 (0.76) SRD5A1SRD5A2
SCHEMBL9022092 0.85 SRD5A1 (0.76) SRD5A1SRD5A2
SCHEMBL8006815 0.84 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8006812 0.84 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8016888 0.84 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8347553 0.83 SRD5A2 (0.56) SRD5A1SRD5A2
SCHEMBL9022689 0.82 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL9022684 0.82 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL8851925 0.82 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8851927 0.82 SRD5A1 (0.60) SRD5A1SRD5A2

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 10 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
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