SCHEMBL8064052

SCHEMBL8064052

CCc1ccccc1NC(=O)NC[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.56
SRD5A2 P31213 4/20 0.56
AR P10275 1/20 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
SCHEMBL8064054 1.00 SRD5A1 (0.56) SRD5A1SRD5A2AR
SCHEMBL8073932 0.84 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8073934 0.84 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8071833 0.84 SRD5A2 (0.59) SRD5A1SRD5A2AR
SCHEMBL8071834 0.84 SRD5A2 (0.59) SRD5A1SRD5A2AR
SCHEMBL8725617 0.78 KMT2A (0.37) SRD5A1SRD5A2AR
SCHEMBL8073539 0.75 SRD5A1 (0.61) SRD5A1SRD5A2AR
SCHEMBL9112301 0.75 SRD5A1 (0.61) SRD5A1SRD5A2AR
SCHEMBL8537861 0.75 SRD5A2 (0.60) SRD5A1SRD5A2AR
SCHEMBL8537857 0.75 SRD5A2 (0.60) SRD5A1SRD5A2AR

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
EP-0641208-B1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 2000-08-02 EP claimed
US-5620986-A TREATS BENIGN PROSTATIC HYPERTROPHY, SEBORRHEA, FEMALE HIRSUTISM, AND MALE AND FEMALE PATTEN BALDNESS MERCK & CO., INC. (US) 1997-04-15 US 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