SCHEMBL8097142

SCHEMBL8097142

CC1CC2N(C)C(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)C(c4cccc5ccccc45)=CC[C@H]3[C@H]12

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 12/20 0.45
SRD5A2 P31213 10/20 0.45
CDK8 P49336 1/20 0.37

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
SCHEMBL8092240 1.00 SRD5A1 (0.45) SRD5A1SRD5A2CDK8
SCHEMBL8092265 0.85 SRD5A1 (0.45) SRD5A1SRD5A2
SCHEMBL8092260 0.85 SRD5A1 (0.45) SRD5A1SRD5A2
SCHEMBL8084004 0.85 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL8084007 0.85 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL8084014 0.81 SRD5A1 (0.46) SRD5A1SRD5A2
SCHEMBL8084018 0.81 SRD5A1 (0.46) SRD5A1SRD5A2
SCHEMBL8084472 0.80 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL8084476 0.80 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL8096725 0.79 SRD5A1 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0756481-B1 17$g(b)-ARYL-4-AZA-STEROID DERIVATIVES MERCK & CO INC (US) 2000-12-27 EP claimed