SCHEMBL8411683

SCHEMBL8411683

CCN(CC)C(=O)C1CC(=O)N[C@@H]2CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]3[C@@]12C

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.39
SRD5A1 P18405 1/20 0.39

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
SCHEMBL4731753 0.87 SRD5A2 (0.53) SRD5A2
SCHEMBL10582748 0.85 MBOAT4 (0.41) SRD5A2SRD5A1
SCHEMBL7609106 0.85 MBOAT4 (0.41) SRD5A2SRD5A1
SCHEMBL10485581 0.84 MBOAT4 (0.40) SRD5A2
SCHEMBL9844548 0.82 SRD5A2 (0.40) SRD5A2
SCHEMBL8764680 0.81 MBOAT4 (0.35) SRD5A2SRD5A1
SCHEMBL9647692 0.80 SRD5A2 (0.46) SRD5A2SRD5A1
SCHEMBL4729968 0.79 SRD5A1 (0.54) SRD5A2SRD5A1
SCHEMBL5596628 0.79 SRD5A1 (0.54) SRD5A2SRD5A1
SCHEMBL6445820 0.78 MBOAT4 (0.38) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4377584-A 4-Aza-17β-substituted-5α-androstan-3-one-reductase inhibitors MERCK & CO., INC. (US) 1983-03-22 US claimed
US-5914227-A CULTURING TISSUE SAMPLE IN CONTROL MEDIA, WITH SUBSTRATE OF HORMONE SYNTHETASE, AND WITH SUBSTATE AND ENZYME INHIBITOR; MEASURING GROWTH AND DETERMINING PRESENCE OF HORMONE SYNTHETASE; FOR CLASSIFICATION AND APPROPRIATE TREATMENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-06-22 US disclosed
EP-0004949-B1 4-AZA-17-SUBSTITUTED-5-ALPHA-ANDROSTAN-3-ONE, THEIR A AND D HOMO ANALOGS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1983-09-21 EP disclosed
US-4377584-A 4-Aza-17β-substituted-5α-androstan-3-one-reductase inhibitors MERCK & CO., INC. (US) 1983-03-22 US disclosed
US-4220775-A Preparation of 4-aza-17-substituted-5α-androstan-3-ones useful as 5α-reductase inhibitors MERCK & CO., INC. (US) 1980-09-02 US disclosed
EP-0004949-A1 4-Aza-17-substituted-5-alpha-androstan-3-one, their A and D homo analogs, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1979-10-31 EP disclosed