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Sugi Predict / Compounds / SCHEMBL8823385

SCHEMBL8823385

SCHEMBL8823385

C[C@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3ccc(C#N)cc3)CC[C@@H]12

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 8/20 0.79
▸ SRD5A2 P31213 6/20 0.79
▸ AR P10275 1/20 0.79

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
SCHEMBL8823379 1.00 SRD5A1 (0.79) SRD5A1SRD5A2AR
SCHEMBL8823396 0.90 SRD5A1 (0.76) SRD5A1SRD5A2AR
SCHEMBL8823398 0.90 SRD5A1 (0.76) SRD5A1SRD5A2AR
SCHEMBL7757861 0.90 SRD5A1 (0.84) SRD5A1SRD5A2AR
SCHEMBL7755911 0.90 SRD5A1 (0.84) SRD5A1SRD5A2AR
SCHEMBL7756370 0.89 SRD5A1 (0.82) SRD5A1SRD5A2AR
SCHEMBL7756373 0.89 SRD5A1 (0.82) SRD5A1SRD5A2AR
SCHEMBL8894610 0.89 SRD5A1 (1.00) SRD5A1SRD5A2AR
SCHEMBL8894599 0.89 SRD5A1 (1.00) SRD5A1SRD5A2AR
SCHEMBL7754606 0.88 SRD5A1 (0.84) SRD5A1SRD5A2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538192-B1 New 17-beta-substituted aza-androstanderivatives CIBA GEIGY AG (CH) 1997-04-23 — — EP disclosed
US-5304562-A Inhibitors of 5-alpha-reductase; treating prostate disorders CIBA-GEIGY CORPORATION (US) 1994-04-19 — — US disclosed
EP-0538192-A1 New 17-beta-substituted aza-androstanderivatives CIBA-GEIGY AG (CH) 1993-04-21 — — EP disclosed