SCHEMBL8064047

SCHEMBL8064047

CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CNC(=O)NC(C)(C)C)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.61
SRD5A1 P18405 1/20 0.55

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
SCHEMBL8064050 1.00 SRD5A2 (0.61) SRD5A2SRD5A1
SCHEMBL8071815 1.00 SRD5A2 (0.61) SRD5A2SRD5A1
SCHEMBL8498273 0.88 SRD5A1 (0.56) SRD5A2SRD5A1
SCHEMBL8498275 0.88 SRD5A1 (0.56) SRD5A2SRD5A1
SCHEMBL8072501 0.86 SRD5A2 (0.61) SRD5A2
SCHEMBL8063800 0.86 SRD5A1 (0.57) SRD5A2SRD5A1
SCHEMBL9113835 0.86 SRD5A2 (0.61) SRD5A2
SCHEMBL8063888 0.86 SRD5A2 (0.61) SRD5A2
SCHEMBL8926910 0.85 SRD5A2 (0.55) SRD5A2
SCHEMBL8926915 0.85 SRD5A2 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641208-B1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 2000-08-02 EP claimed
US-5620986-A TREATS BENIGN PROSTATIC HYPERTROPHY, SEBORRHEA, FEMALE HIRSUTISM, AND MALE AND FEMALE PATTEN BALDNESS MERCK & CO., INC. (US) 1997-04-15 US claimed