SCHEMBL8064026

SCHEMBL8064026

CCCCCCCCNC(=O)NCC1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD17B7 P56937 2/20 0.59
SRD5A1 P18405 8/20 0.58
SRD5A2 P31213 2/20 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
SCHEMBL8071947 1.00 HSD17B7 (0.59) HSD17B7SRD5A1SRD5A2
SCHEMBL8078855 1.00 HSD17B7 (0.59) HSD17B7SRD5A1SRD5A2
SCHEMBL8063800 0.93 SRD5A1 (0.57) SRD5A1SRD5A2
SCHEMBL8926391 0.86 HSD17B7 (0.54) HSD17B7SRD5A1SRD5A2
SCHEMBL11140279 0.84 SRD5A1 (0.64) HSD17B7SRD5A1SRD5A2
SCHEMBL8072501 0.83 SRD5A2 (0.61) SRD5A2
SCHEMBL8071815 0.83 SRD5A2 (0.61) SRD5A1SRD5A2
SCHEMBL8064050 0.83 SRD5A2 (0.61) SRD5A1SRD5A2
SCHEMBL9113835 0.83 SRD5A2 (0.61) SRD5A2
SCHEMBL8064047 0.83 SRD5A2 (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 7 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-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
EP-0641208-B1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 2000-08-02 EP disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US 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