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Sugi Predict / Compounds / SCHEMBL3887154

SCHEMBL3887154

SCHEMBL3887154

CN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(Nc3ccccc3C(F)(F)F)CC[C@@H]12

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.73
▸ KCNH2 Q12809 3/20 0.52
▸ SRD5A1 P18405 2/20 0.50
▸ SRD5A2 P31213 1/20 0.47

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
SCHEMBL14184876 0.88 AR (0.77) ARKCNH2SRD5A1SRD5A2
SCHEMBL2641215 0.88 AR (0.77) ARKCNH2SRD5A1SRD5A2
SCHEMBL2639128 0.85 AR (0.64) ARKCNH2SRD5A2
SCHEMBL2639705 0.85 AR (0.68) ARKCNH2SRD5A2
SCHEMBL4800080 0.85 AR (0.68) ARKCNH2SRD5A2
SCHEMBL4798706 0.85 AR (0.64) ARKCNH2SRD5A2
SCHEMBL2639507 0.85 AR (0.68) ARKCNH2SRD5A1SRD5A2
SCHEMBL4801065 0.85 AR (0.68) ARKCNH2SRD5A1SRD5A2
SCHEMBL917931 0.85 AR (1.00) ARSRD5A1SRD5A2
SCHEMBL7080151 0.85 AR (1.00) ARSRD5A1SRD5A2

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-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