SCHEMBL8612102

SCHEMBL8612102

C[C@]12CCC(=O)C=C1NC[C@@H]1[C@H]2CC[C@]2(C)C(C(=O)Nc3cccc4ccccc34)CC[C@@H]12

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 20/20 0.76

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
SCHEMBL8612097 1.00 SRD5A2 (0.76) SRD5A2
SCHEMBL9285721 0.86 SRD5A2 (0.87) SRD5A2
SCHEMBL19544504 0.86 SRD5A2 (1.00) SRD5A2
SCHEMBL12606611 0.85 SRD5A2 (0.75) SRD5A2
SCHEMBL14175667 0.85 SRD5A2 (0.75) SRD5A2
SCHEMBL8529884 0.85 SRD5A2 (0.71) SRD5A2
SCHEMBL8529889 0.85 SRD5A2 (0.71) SRD5A2
SCHEMBL8529649 0.84 SRD5A2 (0.76) SRD5A2
SCHEMBL12651113 0.83 SRD5A2 (0.72) SRD5A2
SCHEMBL21032082 0.83 SRD5A2 (0.75) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641356-B1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO WELLCOME INC (US) 1998-04-22 EP claimed
WO-1993013124-A1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO INC. (US) 1993-07-08 WO claimed
EP-0641356-B1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO WELLCOME INC (US) 1998-04-22 EP disclosed
WO-1993013124-A1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO INC. (US) 1993-07-08 WO disclosed