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Sugi Predict / Compounds / SCHEMBL8610446

SCHEMBL8610446

SCHEMBL8610446

CN1C[C@H]2[C@@H]3CC[C@H](C(=O)NC45CC6CC(CC(C6)C4)C5)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 17/20 1.00
▸ SRD5A1 P18405 12/20 1.00

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
SCHEMBL8610450 1.00 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL8613221 0.83 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL8613225 0.83 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL8611933 0.82 SRD5A1 (1.00) SRD5A2SRD5A1
SCHEMBL8611934 0.82 SRD5A1 (1.00) SRD5A2SRD5A1
SCHEMBL8615926 0.82 SRD5A1 (1.00) SRD5A2SRD5A1
SCHEMBL8615928 0.82 SRD5A1 (1.00) SRD5A2SRD5A1
SCHEMBL9540616 0.81 SRD5A2 (0.73) SRD5A2SRD5A1
SCHEMBL8611341 0.78 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL8611340 0.78 SRD5A2 (1.00) 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 5 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
WO-1993013124-A1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO INC. (US) 1993-07-08 — — WO 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
WO-1993013124-A1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO INC. (US) 1993-07-08 — — WO disclosed