SCHEMBL8725604

SCHEMBL8725604

C[C@]12C=CC(=O)NC1CC[C@@H]1[C@H]2CC[C@]2(C)C(CCCCC(=O)Nc3cccnc3)CC[C@@H]12

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 19/20 0.56
SRD5A2 P31213 10/20 0.56

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
SCHEMBL8725593 1.00 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8725600 1.00 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8725619 0.95 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL8725614 0.95 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL3503917 0.90 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8721501 0.85 SRD5A1 (0.59) SRD5A1SRD5A2
SCHEMBL8721498 0.85 SRD5A1 (0.59) SRD5A1SRD5A2
SCHEMBL8726904 0.85 SRD5A1 (0.71) SRD5A1SRD5A2
SCHEMBL8726912 0.85 SRD5A1 (0.71) SRD5A1SRD5A2
SCHEMBL8723316 0.84 SRD5A1 (0.61) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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