SCHEMBL4728085

SCHEMBL4728085

CN1C(=O)CC[C@@]2(C)C1C(Oc1ccc(Cl)cc1)C[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CYP19A1 P11511 3/20 0.34
STS P08842 1/20 0.34
SRD5A1 P18405 6/20 0.34

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
SCHEMBL8523449 0.81 SRD5A1 (0.33) SRD5A1
SCHEMBL8586469 0.79 CDK5 (0.37) CDK5CDK5R1CYP19A1STS
SCHEMBL8586472 0.79 CDK5 (0.37) CDK5CDK5R1CYP19A1STS
SCHEMBL8524586 0.77 CDK5 (0.35) CDK5CDK5R1CYP19A1SRD5A1
SCHEMBL8996733 0.72 STS (0.30) CYP19A1STSSRD5A1
SCHEMBL917114 0.72 SRD5A1 (0.46) SRD5A1
SCHEMBL8523662 0.72 STS (0.30) CYP19A1STSSRD5A1
SCHEMBL8996728 0.72 TRPC6 (0.35)
SCHEMBL8523925 0.72 TRPC6 (0.35)
SCHEMBL8584766 0.72 MBOAT4 (0.33) CDK5CDK5R1CYP19A1STS

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-1734963-A4 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS MERCK & CO INC (US) 2008-06-18 EP claimed
EP-1734963-A2 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS Merck & Co., Inc. (US) 2006-12-27 EP claimed
WO-2005097127-A2 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS MERCK & CO., INC. (US) 2005-10-20 WO claimed