SCHEMBL8765329

SCHEMBL8765329

CN1C(=O)CC[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(=Cc3ccccc3)CC[C@@H]12

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 7/20 0.55
SRD5A2 P31213 3/20 0.54
HSD17B7 P56937 1/20 0.50

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
SCHEMBL8765326 1.00 SRD5A1 (0.55) SRD5A1SRD5A2HSD17B7
SCHEMBL8542155 0.91 SRD5A1 (0.49) SRD5A1SRD5A2HSD17B7
SCHEMBL8542153 0.91 SRD5A1 (0.49) SRD5A1SRD5A2HSD17B7
SCHEMBL9114790 0.90 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL8541811 0.90 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL9114783 0.90 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL8541816 0.90 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL9283627 0.89 SRD5A1 (0.48) SRD5A1SRD5A2HSD17B7
SCHEMBL8539912 0.89 SRD5A1 (0.48) SRD5A1SRD5A2HSD17B7
SCHEMBL9283632 0.89 SRD5A1 (0.48) SRD5A1SRD5A2HSD17B7

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
EP-0646007-B1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17$g(b)-SUBSTITUTED-4-AZA-5$g(a)-ANDROSTAN-3-ONES AS 5$g(a)-REDUCTASE INHIBITORS MERCK & CO INC (US) 1997-08-13 EP claimed
EP-0646007-B1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17$g(b)-SUBSTITUTED-4-AZA-5$g(a)-ANDROSTAN-3-ONES AS 5$g(a)-REDUCTASE INHIBITORS MERCK & CO INC (US) 1997-08-13 EP disclosed