SCHEMBL8823348

SCHEMBL8823348

CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)NC(C)(C)C#N)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.63
SRD5A1 P18405 1/20 0.60

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
SCHEMBL8823350 1.00 SRD5A2 (0.63) SRD5A2SRD5A1
SCHEMBL9393489 0.90 SRD5A2 (0.63) SRD5A2SRD5A1
SCHEMBL9393480 0.90 SRD5A2 (0.63) SRD5A2SRD5A1
SCHEMBL9393645 0.86 SRD5A2 (0.63) SRD5A2SRD5A1
SCHEMBL9393587 0.86 SRD5A2 (0.63) SRD5A2SRD5A1
SCHEMBL9393580 0.86 SRD5A2 (0.63) SRD5A2SRD5A1
SCHEMBL10485973 0.85 SRD5A2 (0.64) SRD5A2SRD5A1
SCHEMBL10485981 0.85 SRD5A2 (0.64) SRD5A2SRD5A1
SCHEMBL9205279 0.83 SRD5A2 (0.69) SRD5A2SRD5A1
SCHEMBL9205282 0.83 SRD5A2 (0.69) SRD5A2SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538192-B1 New 17-beta-substituted aza-androstanderivatives CIBA GEIGY AG (CH) 1997-04-23 EP claimed
US-5304562-A Inhibitors of 5-alpha-reductase; treating prostate disorders CIBA-GEIGY CORPORATION (US) 1994-04-19 US disclosed