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SCHEMBL9273992

SCHEMBL9273992

CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)C(CNc5cccc(C(F)(F)F)c5)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 8/20 0.54
▸ KCNH2 Q12809 6/20 0.49
▸ SRD5A1 P18405 1/20 0.49
▸ 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
SCHEMBL9273998 1.00 AR (0.54) ARKCNH2SRD5A1SRD5A2
SCHEMBL3505969 0.88 AR (0.57) ARKCNH2SRD5A1SRD5A2
SCHEMBL8496804 0.86 AR (0.57) ARKCNH2SRD5A1SRD5A2
SCHEMBL8496797 0.86 AR (0.57) ARKCNH2SRD5A1SRD5A2
SCHEMBL8902621 0.86 AR (0.57) ARKCNH2SRD5A1SRD5A2
SCHEMBL3891972 0.86 AR (0.56) ARKCNH2SRD5A1SRD5A2
SCHEMBL5212063 0.83 AR (0.72) ARSRD5A1SRD5A2
SCHEMBL7075042 0.83 AR (0.72) ARSRD5A1SRD5A2
SCHEMBL5211958 0.83 AR (0.72) ARSRD5A1SRD5A2
SCHEMBL14184874 0.82 AR (0.57) ARKCNH2SRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649431-A4 17-AMINO SUBSTITUTED 4-AZASTEROID 5-G(A)-REDUCTASE INHIBITORS. — 1995-05-03 — — EP claimed
EP-0649431-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5$g(a)-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-04-26 — — EP claimed
WO-1993023038-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 — — WO claimed