SCHEMBL2641345

SCHEMBL2641345

CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](Nc5ccc(Cl)cn5)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.58
KCNH2 Q12809 5/20 0.52
SRD5A2 P31213 1/20 0.50

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
SCHEMBL2641347 1.00 AR (0.58) ARKCNH2SRD5A2
SCHEMBL2641716 0.90 AR (0.59) ARKCNH2SRD5A2
SCHEMBL3885961 0.90 AR (0.59) ARKCNH2SRD5A2
SCHEMBL4800203 0.89 AR (0.58) ARKCNH2SRD5A2
SCHEMBL2641427 0.86 AR (0.61) ARKCNH2
SCHEMBL2641428 0.86 AR (0.61) ARKCNH2
SCHEMBL2641448 0.86 AR (0.58) ARKCNH2SRD5A2
SCHEMBL2641446 0.86 AR (0.58) ARKCNH2SRD5A2
SCHEMBL3507236 0.84 AR (0.54) ARKCNH2SRD5A2
SCHEMBL6072813 0.84 AR (0.54) ARKCNH2SRD5A2

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
JP-4832303-B2 2011-12-07 JP claimed
EP-1622567-A4 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2009-04-29 EP claimed
EP-1622567-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2006-02-08 EP claimed
WO-2004100874-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2004-11-25 WO claimed
EP-1622567-A4 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2009-04-29 EP disclosed
EP-1622567-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2006-02-08 EP disclosed
WO-2004100874-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2004-11-25 WO disclosed