SCHEMBL8904151

SCHEMBL8904151

CN1C(=O)CC[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(NC(=O)C(C)(C)O)CC[C@@H]12

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.57
SRD5A1 P18405 1/20 0.56

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
SCHEMBL8904146 1.00 SRD5A2 (0.57) SRD5A2SRD5A1
SCHEMBL8499926 0.93 SRD5A2 (0.58) SRD5A2
SCHEMBL8499924 0.93 SRD5A2 (0.58) SRD5A2
SCHEMBL8496129 0.93 SRD5A2 (0.58) SRD5A2
SCHEMBL8903623 0.90 SRD5A1 (0.56) SRD5A2SRD5A1
SCHEMBL8903618 0.90 SRD5A1 (0.56) SRD5A2SRD5A1
SCHEMBL8903833 0.87 SRD5A2 (0.53) SRD5A2
SCHEMBL8903839 0.87 SRD5A2 (0.53) SRD5A2
SCHEMBL8724712 0.87 SRD5A1 (0.60) SRD5A2SRD5A1
SCHEMBL8724708 0.87 SRD5A1 (0.60) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

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