SCHEMBL8336441

SCHEMBL8336441

CCC1C[C@H]2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 17/20 1.00
SRD5A2 P31213 17/20 1.00
FNTA P49354 1/20 0.54
FNTB P49356 1/20 0.54

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
SCHEMBL917441 1.00 SRD5A1 (1.00) SRD5A1SRD5A2FNTAFNTB
SCHEMBL917440 1.00 SRD5A1 (1.00) SRD5A1SRD5A2FNTAFNTB
SCHEMBL8926996 0.93 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL1587346 0.93 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL916784 0.93 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL916785 0.93 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL9546436 0.91 SRD5A1 (0.83) SRD5A1SRD5A2
SCHEMBL8931506 0.91 SRD5A1 (0.83) SRD5A1SRD5A2
SCHEMBL8698267 0.89 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL8931534 0.89 SRD5A1 (1.00) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786999-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1999-01-20 EP disclosed
EP-0792371-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1998-12-30 EP disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
EP-0572165-B1 New 7B-substituted-4-aza-5a-cholestan-ones as 5a-reductase inhibitors MERCK & CO INC (US) 1997-09-17 EP disclosed
EP-0792371-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-09-03 EP disclosed
EP-0786999-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-08-06 EP disclosed
US-5578726-A Process for producing 7 β-substituted-4-aza-5 α-androstan-3-ones MERCK & CO., INC. (US) 1996-11-26 US disclosed
US-5543417-A 5 Alpha-reductase inhibitor and at least one of an antibacterial agent, a keratolytic agent or an anti-inflammatory agent MERCK & CO., INC. (US) 1996-08-06 US disclosed
US-5527807-A TREATING ALOPECIA, ACNE, PROSTATE DISORDERS MERCK & CO., INC. (US) 1996-06-18 US 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
WO-1995013815-A1 COMBINATION METHOD FOR THE TREATMENT OF PATTERNED ALOPECIA MERCK & CO., INC. (US) 1995-05-26 WO disclosed
WO-1995013077-A1 7β-SUBSTITUTED-4-AZA-5α-CHOLESTAN-3-ONES AS SELECTIVE 5α-REDUCTASE 1 INHIBITORS MERCK & CO., INC. (US) 1995-05-18 WO disclosed
EP-0572165-A1 New 7B-substituted-4-aza-5a-cholestan-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP disclosed
WO-1993023419-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-CHOLESTAN-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023376-A1 NEW PROCESS FOR PRODUCING 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
US-5237064-A Process for producing 7β-substituted-aza-5αandrostan-3-ones MERCK & CO., INC. (US) 1993-08-17 US disclosed