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Sugi Predict / Compounds / SCHEMBL8612685

SCHEMBL8612685

SCHEMBL8612685

CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CNC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 19/20 1.00
▸ SRD5A1 P18405 2/20 0.67

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
SCHEMBL8612687 1.00 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL8611622 0.87 SRD5A2 (1.00) SRD5A2
SCHEMBL8611619 0.87 SRD5A2 (1.00) SRD5A2
SCHEMBL9159638 0.86 SRD5A2 (0.80) SRD5A2
SCHEMBL19544537 0.86 SRD5A2 (0.80) SRD5A2SRD5A1
SCHEMBL12651156 0.86 SRD5A2 (0.80) SRD5A2
SCHEMBL12606608 0.86 SRD5A2 (0.80) SRD5A2
SCHEMBL8650600 0.85 SRD5A2 (1.00) SRD5A2
SCHEMBL9190668 0.85 SRD5A2 (0.73) SRD5A2
SCHEMBL8527983 0.85 SRD5A2 (0.78) SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641356-B1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO WELLCOME INC (US) 1998-04-22 — — EP claimed
EP-0641356-B1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO WELLCOME INC (US) 1998-04-22 — — EP disclosed
US-5543406-A TREATING ANDROGEN RESPONSIVE OR MEDIATED DISEASE GLAXO WELLCOME, INC. (US) 1996-08-06 — — US disclosed
US-5457098-A 5a-testosterone reductase inhibitors; androgen-related diseases, e.g. benign prostatic hypertrophy, prostate cancer, acne, male pattern baldness and hirsutism GLAXO INC. (US) 1995-10-10 — — US disclosed
US-5302589-A Heterocyclic inhibitors of 5-α-testosterone reductase GLAXO, INC. (US) 1994-04-12 — — US disclosed
WO-1993013124-A1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO INC. (US) 1993-07-08 — — WO disclosed