Sugi Predict

Sugi Predict / Compounds / SCHEMBL8409235

SCHEMBL8409235

SCHEMBL8409235

C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C(=O)Sc3ccccn3)CC[C@@H]12

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 13/20 0.63
▸ SRD5A2 P31213 8/20 0.63

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
SCHEMBL7621779 1.00 SRD5A1 (0.63) SRD5A1SRD5A2
SCHEMBL8158267 0.85 SRD5A1 (0.66) SRD5A1SRD5A2
SCHEMBL8158262 0.85 SRD5A1 (0.66) SRD5A1SRD5A2
SCHEMBL9570930 0.84 SRD5A1 (0.43) SRD5A1SRD5A2
SCHEMBL7622722 0.83 SRD5A2 (0.61) SRD5A1SRD5A2
SCHEMBL8777228 0.83 SRD5A1 (0.63) SRD5A1SRD5A2
SCHEMBL14504017 0.82 AR (0.58) SRD5A2
SCHEMBL7616401 0.82 AR (0.58) SRD5A2
SCHEMBL8538045 0.81 SRD5A2 (0.63) SRD5A1SRD5A2
SCHEMBL8538043 0.81 SRD5A2 (0.63) 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
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 — — US disclosed