SCHEMBL7619752

SCHEMBL7619752

C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)NCC34CC5CC(CC(C5)C3)C4)CC[C@@H]12

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 15/20 0.67
SRD5A2 P31213 6/20 0.67
LMNA P02545 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
ABCC4 O15439 1/20 0.67
ABCB11 O95342 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
CHRM1 P11229 1/20 0.67
HSD3B1 P14060 1/20 0.67
NFKB1 P19838 1/20 0.67
MAPK1 P28482 1/20 0.67
THPO P40225 1/20 0.67
BLM P54132 1/20 0.67

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
SCHEMBL7619755 1.00 SRD5A1 (0.67) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7619757 0.86 SRD5A1 (0.70) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7134329 0.86 SRD5A1 (0.70) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7134331 0.86 SRD5A1 (0.70) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8926494 0.86 SRD5A1 (0.51) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8926484 0.86 SRD5A1 (0.51) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL11002519 0.86 SRD5A1 (0.75) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL11002514 0.86 SRD5A1 (0.75) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL2294373 0.84 SRD5A1 (0.78) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL9392062 0.84 SRD5A1 (0.72) SRD5A1SRD5A2LMNACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0547687-A1 17B-N-Substituted adamantyl/norbonanyl carbamoyl-4-aza-5a-and-rost-1-en-3-ones and androstan-3 ones MERCK & CO. INC. (US) 1993-06-23 EP claimed
US-6432971-B2 Method of prevention of prostatic carcinoma with 17β-N-monosubstituted-carbamoyl-4-aza-5α-androst-1-en-3-ones MERCK & CO., INC. 2002-08-13 US disclosed
US-6046183-A SYNERGISTIC MIXTURE OF FINASTERIDE AND DOXAZOSIN MERCK & CO., INC. (US) 2000-04-04 US disclosed
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 US disclosed
US-5753641-A SYNERGISTIC THERAPY COMPRISING FINASTERIDE AND TERAZOSIN DRUGS MERCK & CO., INC. (US) 1998-05-19 US disclosed
US-5710275-A ENZYME AND HORMONE INHIBITORS MERCK & CO., INC. (US) 1998-01-20 US disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
EP-0778284-A2 New 7-beta-substituted-4-aza-5alpha-androstan-3-ones as 5alpha-reductase inhibitors MERCK & CO. INC. (US) 1997-06-11 EP disclosed
US-5629318-A Method of treatment of chronic prostatitis with 17β-N-monosubstituted-carbamoyl-4-aza-5α-androst-1-en-3-ones MERCK & CO., INC. (US) 1997-05-13 US disclosed
EP-0547691-B1 The use of 17B-N-mono-substituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones for the preparation of a medicament for the prevention of prostatic carcinoma MERCK & CO INC (US) 1997-03-19 EP disclosed
EP-0572166-A1 New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP disclosed
EP-0547691-A1 The use of 17B-N-mono-substituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones for the preparation of a medicament for the prevention of prostatic carcinoma MERCK & CO. INC. (US) 1993-06-23 EP disclosed
EP-0547687-A1 17B-N-Substituted adamantyl/norbonanyl carbamoyl-4-aza-5a-and-rost-1-en-3-ones and androstan-3 ones MERCK & CO. INC. (US) 1993-06-23 EP disclosed
WO-1992018132-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1992-10-29 WO disclosed