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SCHEMBL9278643

SCHEMBL9278643

COC(=O)CCCCCCCC(=O)N[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.60
▸ KCNH2 Q12809 5/20 0.54
▸ SRD5A2 P31213 1/20 0.50

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
SCHEMBL9278648 1.00 AR (0.60) ARKCNH2SRD5A2
SCHEMBL14184785 0.91 AR (0.65) ARKCNH2SRD5A2
SCHEMBL2638761 0.91 AR (0.67) ARKCNH2SRD5A2
SCHEMBL4803694 0.91 AR (0.67) ARKCNH2SRD5A2
SCHEMBL14223523 0.90 AR (0.64) ARKCNH2SRD5A2
SCHEMBL2640121 0.89 AR (0.63) ARKCNH2SRD5A2
SCHEMBL4799578 0.89 AR (0.63) ARKCNH2SRD5A2
SCHEMBL4802369 0.88 AR (0.64) ARKCNH2SRD5A2
SCHEMBL2640039 0.88 AR (0.64) ARKCNH2SRD5A2
SCHEMBL9276703 0.87 AR (0.57) 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 4 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$g(a)-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-04-26 — — EP claimed
EP-0649431-A4 17-AMINO SUBSTITUTED 4-AZASTEROID 5-G(A)-REDUCTASE INHIBITORS. — 1995-05-03 — — EP disclosed
EP-0649431-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5$g(a)-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-04-26 — — EP disclosed