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Sugi Predict / Compounds / SCHEMBL9116041

SCHEMBL9116041

SCHEMBL9116041

C[C@]12C=CC(=O)N(c3ccccc3N)[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(N)=O)CC[C@@H]12

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.51
▸ SRD5A1 P18405 3/20 0.49
▸ SRD5A2 P31213 4/20 0.47
▸ KCNH2 Q12809 1/20 0.44

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
SCHEMBL8892698 0.83 AR (0.51) ARSRD5A1SRD5A2KCNH2
SCHEMBL8895980 0.82 SRD5A1 (0.49) ARSRD5A1SRD5A2KCNH2
SCHEMBL7615006 0.81 AR (0.72) ARSRD5A2KCNH2
SCHEMBL7614998 0.81 AR (0.72) ARSRD5A2KCNH2
SCHEMBL5211247 0.80 AR (0.54) ARSRD5A1SRD5A2KCNH2
SCHEMBL9022119 0.78 SRD5A2 (0.56) ARSRD5A1SRD5A2
SCHEMBL5248685 0.77 AR (0.53) ARSRD5A1SRD5A2
SCHEMBL14504019 0.76 AR (0.78) ARSRD5A1SRD5A2
SCHEMBL7080627 0.76 SRD5A1 (0.65) ARSRD5A1SRD5A2
SCHEMBL5214662 0.76 SRD5A1 (0.65) ARSRD5A1SRD5A2

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-0663924-A4 17-g(b)-CARBOXANILIDES OF 4-AZA-5-g(a)-ANDROSTAN-3-ONES AS 5-g(a)-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-10-04 — — EP disclosed
EP-0663924-A1 17$g(b)-CARBOXANILIDES OF 4-AZA-5$g(a)-ANDROSTAN-3-ONES AS 5$g(a)-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-07-26 — — EP disclosed
WO-1994007861-A1 17β-CARBOXANILIDES OF 4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1994-04-14 — — WO disclosed