SCHEMBL4457359

SCHEMBL4457359

CCC1CC(=O)N[C@@H]2CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]12C

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 10/20 0.69
SRD5A2 P31213 8/20 0.69
NPC1L1 Q9UHC9 3/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
FNTA P49354 2/20 0.49
FNTB P49356 2/20 0.49
INPP5D Q92835 1/20 0.49

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
SCHEMBL4636872 0.93 SRD5A1 (0.69) SRD5A1SRD5A2NPC1L1USP2LMNA
SCHEMBL4636223 0.92 SRD5A1 (0.68) SRD5A1SRD5A2NPC1L1USP2LMNA
SCHEMBL4635874 0.89 SRD5A1 (0.65) SRD5A1SRD5A2NPC1L1USP2LMNA
SCHEMBL4448191 0.89 SRD5A1 (0.72) SRD5A1SRD5A2NPC1L1USP2LMNA
SCHEMBL17817402 0.82 SRD5A1 (1.00) SRD5A1SRD5A2CYP2D6CYP2C19FNTA
SCHEMBL8965030 0.82 SRD5A1 (1.00) SRD5A1SRD5A2CYP2D6CYP2C19FNTA
SCHEMBL8965032 0.82 SRD5A1 (1.00) SRD5A1SRD5A2CYP2D6CYP2C19FNTA
SCHEMBL1290263 0.80 SRD5A1 (0.73) SRD5A1SRD5A2NPC1L1USP2LMNA
SCHEMBL4457361 0.79 SRD5A1 (0.69) SRD5A1SRD5A2NPC1L1USP2LMNA
SCHEMBL1290265 0.77 SRD5A1 (0.73) SRD5A1SRD5A2NPC1L1USP2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1865955-A4 METHOD OF TREATING MEN WITH TESTOSTERONE SUPPLEMENT AND 5ALPHA-REDUCTASE INHIBITOR MERCK & CO INC (US) 2009-04-15 EP claimed
EP-1865955-A2 METHOD OF TREATING MEN WITH TESTOSTERONE SUPPLEMENT AND 5ALPHA-REDUCTASE INHIBITOR Merck & Co., Inc. (US) 2007-12-19 EP claimed
WO-2006104762-A2 METHOD OF TREATING MEN WITH TESTOSTERONE SUPPLEMENT AND 5ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 2006-10-05 WO claimed