SCHEMBL8073307

SCHEMBL8073307

CN(C)c1ccc(OCC2CC[C@H]3[C@@H]4CCC5N(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 9/20 0.55
SRD5A2 P31213 4/20 0.53
HSD17B7 P56937 1/20 0.52

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
SCHEMBL8073302 1.00 SRD5A1 (0.55) SRD5A1SRD5A2HSD17B7
SCHEMBL8075596 0.87 SRD5A1 (0.52) SRD5A1SRD5A2HSD17B7
SCHEMBL8075592 0.87 SRD5A1 (0.52) SRD5A1SRD5A2HSD17B7
SCHEMBL8065279 0.81 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL8065283 0.81 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL8065744 0.81 SRD5A1 (0.49) SRD5A1SRD5A2HSD17B7
SCHEMBL8065743 0.81 SRD5A1 (0.49) SRD5A1SRD5A2HSD17B7
SCHEMBL8065487 0.81 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL8065489 0.81 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL7745397 0.80 SRD5A1 (0.51) SRD5A1SRD5A2

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-0641204-B1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO INC (US) 2000-08-16 EP claimed
US-5536727-A TREATMENT OF HYPERANDROGENIC DISEASES MERCK & CO., INC. (US) 1996-07-16 US claimed
EP-0641204-B1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO INC (US) 2000-08-16 EP disclosed