SCHEMBL5071106

SCHEMBL5071106

CN1CC=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)C(=Cc5cccnc5N)C[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.55
KCNH2 Q12809 12/20 0.52
HSD17B1 P14061 1/20 0.35
CYP19A1 P11511 1/20 0.33

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
SCHEMBL4269563 0.85 AR (0.75) ARKCNH2
SCHEMBL4269567 0.85 AR (0.75) ARKCNH2
SCHEMBL4269555 0.85 AR (0.75) ARKCNH2
SCHEMBL5069439 0.78 AR (0.36) ARKCNH2CYP19A1
SCHEMBL4264999 0.71 AR (1.00) ARKCNH2
SCHEMBL4264997 0.71 AR (1.00) ARKCNH2
SCHEMBL4264995 0.71 AR (1.00) ARKCNH2
SCHEMBL4278270 0.70 AR (0.79) ARKCNH2
SCHEMBL4270626 0.70 AR (0.79) ARKCNH2
SCHEMBL4270630 0.70 AR (0.79) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467739-A4 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2008-01-09 EP claimed
EP-1467739-A2 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-10-20 EP claimed
WO-2003059293-A2 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-07-24 WO claimed
EP-1467739-A4 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2008-01-09 EP disclosed
EP-1467739-A2 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-10-20 EP disclosed
WO-2003059293-A2 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-07-24 WO disclosed