SCHEMBL2641397

SCHEMBL2641397

CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](Nc5cccnc5)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.59
KCNH2 Q12809 6/20 0.59

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
SCHEMBL2641398 1.00 AR (0.59) ARKCNH2
SCHEMBL2641306 0.89 AR (0.62) ARKCNH2
SCHEMBL2641308 0.89 AR (0.62) ARKCNH2
SCHEMBL8910867 0.85 AR (0.59) ARKCNH2
SCHEMBL8910871 0.85 AR (0.59) ARKCNH2
SCHEMBL4800542 0.85 AR (0.59) ARKCNH2
SCHEMBL2639106 0.85 AR (0.56) ARKCNH2
SCHEMBL2639105 0.85 AR (0.56) ARKCNH2
SCHEMBL917861 0.84 AR (0.66) ARKCNH2
SCHEMBL917859 0.84 AR (0.66) ARKCNH2

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
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