SCHEMBL6889677

SCHEMBL6889677

CC(NC(=O)C1CC[C@H]2[C@@H]3CCC4N(C)C(=O)C(F)=C[C@]4(C)[C@@H]3CC[C@]12C)c1nc2ccccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.63
SRD5A2 P31213 2/20 0.41
SRD5A1 P18405 3/20 0.40

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
SCHEMBL4191123 1.00 AR (0.63) ARSRD5A2SRD5A1
SCHEMBL5001796 0.90 AR (0.66) ARSRD5A2SRD5A1
SCHEMBL5001795 0.90 AR (0.66) ARSRD5A2SRD5A1
SCHEMBL4998753 0.90 AR (0.66) ARSRD5A2SRD5A1
SCHEMBL4998907 0.90 AR (0.66) ARSRD5A2SRD5A1
SCHEMBL4998754 0.90 AR (0.66) ARSRD5A2SRD5A1
SCHEMBL4998755 0.90 AR (0.66) ARSRD5A2SRD5A1
SCHEMBL14091127 0.90 AR (0.66) ARSRD5A2SRD5A1
SCHEMBL14091134 0.90 AR (0.66) ARSRD5A2SRD5A1
SCHEMBL6889155 0.89 AR (0.56) ARSRD5A2SRD5A1

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
EP-1485095-A1 FLUORINATED 4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-15 EP claimed
WO-2003077919-A1 FLUORINATED 4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-09-25 WO claimed
EP-1485095-A1 FLUORINATED 4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-15 EP disclosed
WO-2003077919-A1 FLUORINATED 4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-09-25 WO disclosed