SCHEMBL7978401

SCHEMBL7978401

C[C@@]12CCC[C@H]1[C@@H]1C(C(=O)NC3C4CC5CC(C4)CC3C5)CC3NC(=O)C=C[C@]3(C)[C@@H]1CC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 14/20 0.38
SRD5A2 P31213 7/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
ABCC4 O15439 1/20 0.38
ABCB11 O95342 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
HSD3B1 P14060 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
THPO P40225 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL7978400 1.00 SRD5A1 (0.38) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL9319615 0.88 SRD5A1 (0.37) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL9134036 0.83 SRD5A1 (0.52) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL9134039 0.83 SRD5A1 (0.52) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7901226 0.76 SRD5A1 (0.55) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7901229 0.76 SRD5A1 (0.55) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL9114837 0.74 SRD5A1 (0.43) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7624986 0.72 SRD5A1 (0.69) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8163352 0.72 SRD5A1 (0.69) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7624979 0.72 SRD5A1 (0.69) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268376-B1 Method of prevention of prostatic carcinoma with 17β-N-monosubstituted-carbamoyl-4-aza-5α-androst-1-en-3-ones MERCK & CO., INC. 2001-07-31 US claimed
EP-0674521-A4 METHOD OF TREATMENT OF CHRONIC PROSTATITIS WITH 17-g(b)-N-MONOSUBSTITUTED-CARBAMOYL-4-AZA-5-g(a)-ANDROST-1-EN-3-ONES. MERCK & CO INC (US) 1998-02-04 EP claimed
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 claimed
EP-0674521-A1 METHOD OF TREATMENT OF CHRONIC PROSTATITIS WITH 17$g(b)-N-MONOSUBSTITUTED-CARBAMOYL-4-AZA-5$g(a)-ANDROST-1-EN-3-ONES MERCK & CO. INC. (US) 1995-10-04 EP claimed
WO-1994014452-A1 METHOD OF TREATMENT OF CHRONIC PROSTATITIS WITH 17β-N-MONOSUBSTITUTED-CARBAMOYL-4-AZA-5α-ANDROST-1-EN-3-ONES MERCK & CO., INC. (US) 1994-07-07 WO claimed
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 claimed