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Sugi Predict / Compounds / SCHEMBL8499353

SCHEMBL8499353

SCHEMBL8499353

CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CNC(=O)c5c(Cl)cccc5Cl)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 8/20 0.57
▸ KCNH2 Q12809 6/20 0.52
▸ 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
SCHEMBL8905357 1.00 AR (0.57) ARKCNH2SRD5A2
SCHEMBL8498401 0.87 AR (0.60) ARKCNH2SRD5A2
SCHEMBL8498395 0.87 AR (0.60) ARKCNH2SRD5A2
SCHEMBL9227508 0.87 AR (0.60) ARKCNH2SRD5A2
SCHEMBL8077191 0.86 AR (0.56) ARKCNH2SRD5A2
SCHEMBL8077188 0.86 AR (0.56) ARKCNH2SRD5A2
SCHEMBL8500410 0.86 AR (0.56) ARKCNH2SRD5A2
SCHEMBL8497099 0.86 AR (0.56) ARKCNH2SRD5A2
SCHEMBL8499098 0.84 AR (0.58) ARKCNH2SRD5A2
SCHEMBL8903784 0.84 AR (0.58) ARKCNH2SRD5A2

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