SCHEMBL8894599

SCHEMBL8894599

C[C@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3ccccc3)CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 8/20 1.00
SRD5A2 P31213 5/20 1.00
AR P10275 1/20 1.00

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
SCHEMBL8894610 1.00 SRD5A1 (1.00) SRD5A1SRD5A2AR
SCHEMBL7754614 0.91 SRD5A1 (0.84) SRD5A1SRD5A2AR
SCHEMBL7754606 0.91 SRD5A1 (0.84) SRD5A1SRD5A2AR
SCHEMBL7757861 0.91 SRD5A1 (0.84) SRD5A1SRD5A2AR
SCHEMBL7755911 0.91 SRD5A1 (0.84) SRD5A1SRD5A2AR
SCHEMBL7756370 0.90 SRD5A1 (0.82) SRD5A1SRD5A2AR
SCHEMBL7756373 0.90 SRD5A1 (0.82) SRD5A1SRD5A2AR
SCHEMBL7756461 0.89 SRD5A1 (0.80) SRD5A1SRD5A2AR
SCHEMBL7756455 0.89 SRD5A1 (0.80) SRD5A1SRD5A2AR
SCHEMBL8823385 0.89 SRD5A1 (0.79) SRD5A1SRD5A2AR

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 7 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 claimed
EP-0663924-A1 17$g(b)-CARBOXANILIDES OF 4-AZA-5$g(a)-ANDROSTAN-3-ONES AS 5$g(a)-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-07-26 EP claimed
WO-1994007861-A1 17β-CARBOXANILIDES OF 4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1994-04-14 WO claimed
US-5693810-A ENZYME INHIBITORS OF TESTOSTERONE-5ALPHA-REDUCTASE TO PREVENT OR LESSEN SYMPTOMS OF DIHYDROTESTOSTERONE-RELATED HYPERANDROGENIC CONDITIONS, E.G. PROSTATE PROBLEMS, SKIN DISORDERS MERCK & CO., INC. (US) 1997-12-02 US disclosed
EP-0663924-A4 17-g(b)-CARBOXANILIDES OF 4-AZA-5-g(a)-ANDROSTAN-3-ONES AS 5-g(a)-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-10-04 EP disclosed
EP-0663924-A1 17$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