SCHEMBL13965618

SCHEMBL13965618

CN1C(=O)C=C[C@]2(C)C3CC[C@]4(C)C(O)CC[C@H]4C3CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 1.00
KCNH2 Q12809 5/20 0.73

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
SCHEMBL4275786 1.00 AR (1.00) ARKCNH2
SCHEMBL4275791 1.00 AR (1.00) ARKCNH2
SCHEMBL13656759 1.00 AR (1.00) ARKCNH2
SCHEMBL14336691 0.87 AR (0.77) ARKCNH2
SCHEMBL4799057 0.86 AR (0.75) ARKCNH2
SCHEMBL4799062 0.86 AR (0.75) ARKCNH2
SCHEMBL5116733 0.85 AR (0.74) ARKCNH2
SCHEMBL13403346 0.85 AR (0.74) ARKCNH2
SCHEMBL13403347 0.85 AR (0.74) ARKCNH2
SCHEMBL5874196 0.85 AR (0.74) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482357-B2 17-acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-01-27 US disclosed