SCHEMBL5248685

SCHEMBL5248685

COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(c5ccccc5)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.53
SRD5A2 P31213 2/20 0.49
SRD5A1 P18405 3/20 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
SCHEMBL5211247 0.91 AR (0.54) ARSRD5A2SRD5A1
SCHEMBL7080627 0.87 SRD5A1 (0.65) ARSRD5A2SRD5A1
SCHEMBL5214662 0.87 SRD5A1 (0.65) ARSRD5A2SRD5A1
SCHEMBL13465160 0.84 AR (0.70) ARSRD5A2
SCHEMBL4458131 0.84 AR (0.70) ARSRD5A2
SCHEMBL8410044 0.84 AR (0.70) ARSRD5A2
SCHEMBL4458128 0.84 AR (0.70) ARSRD5A2
SCHEMBL14493967 0.84 AR (0.70) ARSRD5A2
SCHEMBL7624008 0.84 AR (0.70) ARSRD5A2
SCHEMBL9022119 0.84 SRD5A2 (0.56) ARSRD5A2SRD5A1

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-1420796-A4 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2007-07-11 EP disclosed
EP-1420796-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2004-05-26 EP disclosed
WO-2003011302-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2003-02-13 WO disclosed