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Sugi Predict / Compounds / SCHEMBL3891972

SCHEMBL3891972

SCHEMBL3891972

CN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(Nc3cccc(C(F)(F)F)c3)CC[C@@H]12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.56
▸ KCNH2 Q12809 5/20 0.51
▸ SRD5A2 P31213 2/20 0.51
▸ SRD5A1 P18405 1/20 0.51

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
SCHEMBL2641300 0.89 AR (0.57) ARKCNH2SRD5A2SRD5A1
SCHEMBL14184874 0.89 AR (0.57) ARKCNH2SRD5A2SRD5A1
SCHEMBL4799861 0.86 AR (0.58) ARKCNH2SRD5A2SRD5A1
SCHEMBL9273998 0.86 AR (0.54) ARKCNH2SRD5A2SRD5A1
SCHEMBL2640074 0.86 AR (0.58) ARKCNH2SRD5A2SRD5A1
SCHEMBL9273992 0.86 AR (0.54) ARKCNH2SRD5A2SRD5A1
SCHEMBL15122350 0.86 AR (0.58) ARKCNH2SRD5A2SRD5A1
SCHEMBL5211958 0.85 AR (0.72) ARSRD5A2SRD5A1
SCHEMBL4799826 0.85 STS (0.54) ARKCNH2
SCHEMBL2639750 0.85 STS (0.54) 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 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