SCHEMBL8713486

SCHEMBL8713486

CN1C(=O)CC(C(=O)NC23CC4CC(CC(C4)C2)C3)[C@]2(C)[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.41
SRD5A2 P31213 4/20 0.41
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
MBOAT4 Q96T53 1/20 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
SCHEMBL7741691 0.80 SRD5A2 (0.41) SRD5A1SRD5A2GRIN1GRIN2BMBOAT4
SCHEMBL8823339 0.79 MBOAT4 (0.38) SRD5A2MBOAT4
SCHEMBL8823337 0.79 MBOAT4 (0.38) SRD5A2MBOAT4
SCHEMBL8604667 0.79 MBOAT4 (0.42) GRIN1GRIN2BMBOAT4
SCHEMBL8158079 0.79 SRD5A1 (0.42) SRD5A1SRD5A2GRIN1GRIN2B
SCHEMBL5596628 0.77 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL4729968 0.77 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL7617435 0.72 SRD5A1 (0.61) SRD5A1SRD5A2
SCHEMBL7617440 0.72 SRD5A1 (0.61) SRD5A1SRD5A2
SCHEMBL7711769 0.71 MBOAT4 (0.38) SRD5A1GRIN1GRIN2BMBOAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674521-A4 METHOD OF TREATMENT OF CHRONIC PROSTATITIS WITH 17-g(b)-N-MONOSUBSTITUTED-CARBAMOYL-4-AZA-5-g(a)-ANDROST-1-EN-3-ONES. MERCK & CO INC (US) 1998-02-04 EP disclosed
EP-0674521-A1 METHOD OF TREATMENT OF CHRONIC PROSTATITIS WITH 17$g(b)-N-MONOSUBSTITUTED-CARBAMOYL-4-AZA-5$g(a)-ANDROST-1-EN-3-ONES MERCK & CO. INC. (US) 1995-10-04 EP disclosed
WO-1994015602-A1 COMBINATION METHOD FOR TREATING PATTERNED ALOPECIA WITH 17β-N-SUBSTITUTED-CARBAMOYL-4-AZA-5α-ANDROST-1-EN-3-ONES AND MINOXIDIL MERCK & CO., INC. (US) 1994-07-21 WO disclosed
WO-1994014452-A1 METHOD OF TREATMENT OF CHRONIC PROSTATITIS WITH 17β-N-MONOSUBSTITUTED-CARBAMOYL-4-AZA-5α-ANDROST-1-EN-3-ONES MERCK & CO., INC. (US) 1994-07-07 WO disclosed