SCHEMBL8079260

SCHEMBL8079260

CC(CNC(=O)NC(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.62
SRD5A1 P18405 2/20 0.62

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
SCHEMBL9113994 1.00 SRD5A2 (0.62) SRD5A2SRD5A1
SCHEMBL8724855 0.83 SRD5A1 (0.60) SRD5A2SRD5A1
SCHEMBL8724858 0.83 SRD5A1 (0.60) SRD5A2SRD5A1
SCHEMBL8071815 0.83 SRD5A2 (0.61) SRD5A2SRD5A1
SCHEMBL8064050 0.83 SRD5A2 (0.61) SRD5A2SRD5A1
SCHEMBL8064047 0.83 SRD5A2 (0.61) SRD5A2SRD5A1
SCHEMBL7745354 0.82 SRD5A2 (0.68) SRD5A2SRD5A1
SCHEMBL7749945 0.82 SRD5A2 (0.59) SRD5A2SRD5A1
SCHEMBL7749950 0.82 SRD5A2 (0.59) SRD5A2SRD5A1
SCHEMBL8723431 0.82 SRD5A1 (0.62) SRD5A2SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641208-A4 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-08-30 EP claimed
EP-0641208-A1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-03-08 EP claimed
WO-1993023048-A1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
EP-0641208-B1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 2000-08-02 EP 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-5620986-A TREATS BENIGN PROSTATIC HYPERTROPHY, SEBORRHEA, FEMALE HIRSUTISM, AND MALE AND FEMALE PATTEN BALDNESS MERCK & CO., INC. (US) 1997-04-15 US 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
WO-1993023420-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS 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
WO-1993023048-A1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed