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Sugi Predict / Compounds / SCHEMBL8524778

SCHEMBL8524778

SCHEMBL8524778

CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CNC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 2/20 0.59
▸ SRD5A2 P31213 1/20 0.49

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
SCHEMBL8526215 1.00 SRD5A1 (0.59) SRD5A1SRD5A2
SCHEMBL8525236 0.90 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8524971 0.90 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8495941 0.89 SRD5A1 (0.62) SRD5A1SRD5A2
SCHEMBL8499188 0.89 SRD5A1 (0.62) SRD5A1SRD5A2
SCHEMBL8495947 0.89 SRD5A1 (0.62) SRD5A1SRD5A2
SCHEMBL8496314 0.87 SRD5A1 (0.60) SRD5A1
SCHEMBL8496313 0.87 SRD5A1 (0.60) SRD5A1
SCHEMBL8903176 0.86 SRD5A1 (0.62) SRD5A1SRD5A2
SCHEMBL8903182 0.86 SRD5A1 (0.62) 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
EP-0649431-B1 17-AMINO SUBSTITUTED 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 1999-08-11 — — EP claimed