SCHEMBL4636876

SCHEMBL4636876

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C(CCl)C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 11/20 0.68
SRD5A2 P31213 7/20 0.68
INPP5D Q92835 1/20 0.52
FNTA P49354 3/20 0.52
FNTB P49356 3/20 0.52
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPC1L1 Q9UHC9 3/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 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
SCHEMBL4457361 0.91 SRD5A1 (0.69) SRD5A1SRD5A2INPP5DFNTAFNTB
SCHEMBL4636228 0.90 SRD5A1 (0.68) SRD5A1SRD5A2INPP5DFNTAFNTB
SCHEMBL4635876 0.88 SRD5A1 (0.65) SRD5A1SRD5A2INPP5DFNTAFNTB
SCHEMBL4448192 0.87 SRD5A1 (0.71) SRD5A1SRD5A2INPP5DFNTAFNTB
SCHEMBL8586967 0.84 SRD5A1 (0.67) SRD5A1SRD5A2INPP5DFNTAFNTB
SCHEMBL17817402 0.81 SRD5A1 (1.00) SRD5A1SRD5A2FNTAFNTBCYP2D6
SCHEMBL8965030 0.81 SRD5A1 (1.00) SRD5A1SRD5A2FNTAFNTBCYP2D6
SCHEMBL8965032 0.81 SRD5A1 (1.00) SRD5A1SRD5A2FNTAFNTBCYP2D6
SCHEMBL1290265 0.80 SRD5A1 (0.73) SRD5A1SRD5A2INPP5DFNTAFNTB
SCHEMBL4636872 0.80 SRD5A1 (0.69) SRD5A1SRD5A2INPP5DFNTAFNTB

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-1734963-A4 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS MERCK & CO INC (US) 2008-06-18 EP disclosed
EP-1734963-A2 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS Merck & Co., Inc. (US) 2006-12-27 EP disclosed
WO-2005097127-A2 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS MERCK & CO., INC. (US) 2005-10-20 WO disclosed