SCHEMBL13656757

SCHEMBL13656757

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

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD17B7 P56937 1/20 0.60
SRD5A1 P18405 1/20 0.59
SRD5A2 P31213 1/20 0.59

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
SCHEMBL7529348 1.00 HSD17B7 (0.60) HSD17B7SRD5A1SRD5A2
SCHEMBL7527383 1.00 HSD17B7 (0.60) HSD17B7SRD5A1SRD5A2
SCHEMBL7527375 1.00 HSD17B7 (0.60) HSD17B7SRD5A1SRD5A2
SCHEMBL14561091 0.84 SRD5A1 (0.56) HSD17B7SRD5A1SRD5A2
SCHEMBL7524799 0.84 HSD17B7 (0.57) HSD17B7SRD5A1SRD5A2
SCHEMBL5408042 0.84 SRD5A1 (0.56) HSD17B7SRD5A1SRD5A2
SCHEMBL5427981 0.84 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL7524800 0.84 HSD17B7 (0.57) HSD17B7SRD5A1SRD5A2
SCHEMBL5408037 0.84 SRD5A1 (0.56) HSD17B7SRD5A1SRD5A2
SCHEMBL10273977 0.84 CYP19A1 (0.53)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605152-B2 17-hydroxy-4-aza-androstan-3-ones as androgen receptor modulators MERCK & CO., INC. (US) 2009-10-20 US disclosed
US-7605152-B2 17-hydroxy-4-aza-androstan-3-ones as androgen receptor modulators MERCK & CO., INC. (US) 2009-10-20 US disclosed