SCHEMBL9318924

SCHEMBL9318924

CCCCNC(=O)[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 0.93

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.64
AR P10275 1/20 0.64
SRD5A1 P18405 1/20 0.64

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
SCHEMBL8764686 1.00 SRD5A2 (0.64) SRD5A2ARSRD5A1
SCHEMBL9213222 0.92 SRD5A2 (0.60) SRD5A2ARSRD5A1
SCHEMBL9213209 0.92 SRD5A2 (0.60) SRD5A2ARSRD5A1
SCHEMBL9212370 0.91 SRD5A2 (0.58) SRD5A2ARSRD5A1
SCHEMBL9212359 0.91 SRD5A2 (0.58) SRD5A2ARSRD5A1
SCHEMBL9620153 0.90 SRD5A2 (0.62) SRD5A2ARSRD5A1
SCHEMBL9620150 0.90 SRD5A2 (0.62) SRD5A2ARSRD5A1
SCHEMBL12384448 0.89 SRD5A2 (0.65) SRD5A2ARSRD5A1
SCHEMBL12423996 0.89 SRD5A2 (0.65) SRD5A2ARSRD5A1
SCHEMBL9309301 0.87 SRD5A2 (0.58) SRD5A2ARSRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576603-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO. INC. (US) 1994-01-05 EP disclosed
EP-0285383-A2 Treatment of prostatic carcinoma with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO. INC. (US) 1988-10-05 EP disclosed
EP-0285382-A2 Treatment of androgenic alopecia with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO. INC. (US) 1988-10-05 EP disclosed