SCHEMBL5069378

SCHEMBL5069378

CN1C(=O)CC[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC2(O)F

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD17B7 P56937 1/20 0.61
SRD5A1 P18405 1/20 0.55

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
SCHEMBL4265828 0.88 HSD17B7 (0.64) HSD17B7
SCHEMBL4265826 0.88 HSD17B7 (0.64) HSD17B7
SCHEMBL13656756 0.88 HSD17B7 (0.64) HSD17B7
SCHEMBL4264792 0.83 HSD17B7 (0.59) HSD17B7SRD5A1
SCHEMBL13656754 0.83 HSD17B7 (0.59) HSD17B7SRD5A1
SCHEMBL4264788 0.83 HSD17B7 (0.59) HSD17B7SRD5A1
SCHEMBL13656755 0.82 SHBG (0.62) HSD17B7
SCHEMBL4268268 0.82 SHBG (0.62) HSD17B7
SCHEMBL4268271 0.82 SHBG (0.62) HSD17B7
SCHEMBL9214886 0.82 HSD17B7 (0.58) HSD17B7

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-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