Sugi Predict

Sugi Predict / Compounds / SCHEMBL9546853

SCHEMBL9546853

SCHEMBL9546853

COc1ccc(N(CC(C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)CC[C@]5(C)[C@H]4CC[C@]23C)C(C)=O)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 9/20 0.58
▸ SRD5A2 P31213 4/20 0.56

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
SCHEMBL7751326 0.80 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL8724723 0.80 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8724725 0.80 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL7751264 0.79 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL8499903 0.78 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL8724716 0.78 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL7752602 0.76 SRD5A1 (0.68) SRD5A1SRD5A2
SCHEMBL7750316 0.76 SRD5A1 (0.68) SRD5A1SRD5A2
SCHEMBL8722390 0.76 SRD5A1 (0.68) SRD5A1SRD5A2
SCHEMBL7752608 0.76 SRD5A1 (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 — — WO disclosed