SCHEMBL8722309

SCHEMBL8722309

CN1C(=O)CC[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(CCCCCC(=O)Nc3ccccn3)CC[C@@H]12

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.49
SRD5A2 P31213 2/20 0.47
HSD17B7 P56937 1/20 0.46

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
SCHEMBL8722304 1.00 SRD5A1 (0.49) SRD5A1SRD5A2HSD17B7
SCHEMBL8722306 1.00 SRD5A1 (0.49) SRD5A1SRD5A2HSD17B7
SCHEMBL8721522 0.94 SRD5A1 (0.50) SRD5A1SRD5A2
SCHEMBL8721516 0.94 SRD5A1 (0.50) SRD5A1SRD5A2
SCHEMBL8726323 0.84 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL8723342 0.84 SRD5A1 (0.48) SRD5A1SRD5A2HSD17B7
SCHEMBL8723347 0.84 SRD5A1 (0.48) SRD5A1SRD5A2HSD17B7
SCHEMBL8723345 0.84 SRD5A1 (0.48) SRD5A1SRD5A2HSD17B7
SCHEMBL8723262 0.83 SRD5A1 (0.59) SRD5A1SRD5A2
SCHEMBL8726889 0.82 SRD5A1 (0.59) SRD5A1SRD5A2HSD17B7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510485-A PREGNANES OR ANDROSTANES; ANTIANDROGENS, HORMONE INHIBITORS MERCK & CO., INC. (US) 1996-04-23 US claimed
EP-0641209-A4 NEW 17-ESTER, AMIDE, AND KETONE DERIVATIVES OF 3-OXO-4-AZASTEROIDS AS 5A-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-08-23 EP claimed
EP-0641209-A1 NEW 17-ESTER, AMIDE, AND KETONE DERIVATIVES OF 3-OXO-4-AZASTEROIDS AS 5A-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-03-08 EP claimed
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-5510485-A PREGNANES OR ANDROSTANES; ANTIANDROGENS, HORMONE INHIBITORS MERCK & CO., INC. (US) 1996-04-23 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