SCHEMBL7897448

SCHEMBL7897448

CC1CC2N(C)C(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)C(=O)CC[C@H]3[C@H]12

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.57
SRD5A2 P31213 5/20 0.57
CYP19A1 P11511 3/20 0.45
HSD17B7 P56937 1/20 0.41

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
SCHEMBL8099549 1.00 SRD5A1 (0.57) SRD5A1SRD5A2CYP19A1HSD17B7
SCHEMBL8680324 0.86 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8725586 0.85 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8725589 0.85 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8725591 0.85 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8938166 0.84 SRD5A1 (0.56) SRD5A1SRD5A2HSD17B7
SCHEMBL8938169 0.84 SRD5A1 (0.56) SRD5A1SRD5A2HSD17B7
SCHEMBL8093887 0.83 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8093889 0.83 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8570744 0.83 SRD5A1 (0.53) SRD5A1SRD5A2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-0572166-A1 New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP claimed
US-6204273-B1 TREATMENT OF ANDROGENIC SENSITIVE DISORDERS SUCH AS ACNE VULGARIS, SEBORRHEA, FEMALE HIRSUTISM, MALE PATTERN BALDNESS, AND BENIGN PROSTATIC HYPERPLASIA. MERCK & CO., INC. 2001-03-20 US disclosed
EP-0756481-B1 17$g(b)-ARYL-4-AZA-STEROID DERIVATIVES MERCK & CO INC (US) 2000-12-27 EP disclosed
US-5910497-A 16-pyrazinyl-substituted-4-aza-androstane 5-α-reductase isozyme 1 inhibitors MERCK & CO., INC. (US) 1999-06-08 US disclosed
EP-0786999-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1999-01-20 EP disclosed
EP-0724592-B1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO INC (US) 1999-01-07 EP disclosed
EP-0792371-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1998-12-30 EP disclosed
EP-0756481-A4 17-g(b)-ARYL-4-AZA-STEROID DERIVATIVES MERCK & CO INC (US) 1998-11-18 EP disclosed
EP-0700291-B1 15-SUBSTITUTED 4-AZASTEROIDS MERCK & CO INC (US) 1998-09-16 EP disclosed
EP-0771203-A4 METHOD OF TREATING SWEAT-RELATED CONDITIONS MERCK & CO INC (US) 1998-09-09 EP disclosed
WO-1996012487-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO disclosed
WO-1996012817-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO disclosed
EP-0700291-A1 15-SUBSTITUTED 4-AZASTEROIDS MERCK & CO. INC. (US) 1996-03-13 EP disclosed
WO-1996003129-A1 METHOD OF TREATING SWEAT-RELATED CONDITIONS MERCK & CO., INC. (US) 1996-02-08 WO disclosed
WO-1995028928-A1 17β-ARYL-4-AZA-STEROID DERIVATIVES MERCK & CO., INC. (US) 1995-11-02 WO disclosed
WO-1995011254-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO., INC. (US) 1995-04-27 WO disclosed
US-5359071-A Selective antagonist of testosterone 5-alpha-reductase 1 MERCK & CO., INC. (US) 1994-10-25 US disclosed
WO-1994020104-A1 15-SUBSTITUTED 4-AZASTEROIDS MERCK & CO, INC. (US) 1994-09-15 WO 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