SCHEMBL8903176

SCHEMBL8903176

CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(NC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.62
SRD5A2 P31213 1/20 0.52

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
SCHEMBL8903182 1.00 SRD5A1 (0.62) SRD5A1SRD5A2
SCHEMBL8903811 0.90 SRD5A1 (0.55) SRD5A1SRD5A2
SCHEMBL8903814 0.90 SRD5A1 (0.55) SRD5A1SRD5A2
SCHEMBL8908656 0.88 SRD5A1 (0.66) SRD5A1SRD5A2
SCHEMBL8903931 0.86 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8903926 0.86 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8524778 0.86 SRD5A1 (0.59) SRD5A1SRD5A2
SCHEMBL8526215 0.86 SRD5A1 (0.59) SRD5A1SRD5A2
SCHEMBL8903246 0.86 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL8903241 0.86 SRD5A1 (0.54) SRD5A1SRD5A2

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
US-5639741-A STEROIDS TREATING SKIN DISORDERS MERCK & CO., INC. (US) 1997-06-17 US claimed
US-5639741-A STEROIDS TREATING SKIN DISORDERS MERCK & CO., INC. (US) 1997-06-17 US disclosed
EP-0649431-A4 17-AMINO SUBSTITUTED 4-AZASTEROID 5-G(A)-REDUCTASE INHIBITORS. 1995-05-03 EP disclosed
EP-0649431-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5$g(a)-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-04-26 EP disclosed
WO-1993023038-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed