SCHEMBL13611192

SCHEMBL13611192

CN1C(=O)CCC2(C)C3CCC4(C)C(C(=O)Sc5ccccn5)CCC4C3CC3(CC3)C12

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.40
SRD5A2 P31213 3/20 0.40

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
SCHEMBL13603641 1.00 SRD5A1 (0.40) SRD5A1SRD5A2
SCHEMBL8795547 0.85 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL13603626 0.82 SRD5A2 (0.44) SRD5A1SRD5A2
SCHEMBL13611186 0.82 SRD5A2 (0.44) SRD5A1SRD5A2
SCHEMBL13611191 0.79 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL13603642 0.79 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL8536963 0.77 AKR1B10 (0.61)
SCHEMBL4474725 0.77 SRD5A2 (0.40) SRD5A1SRD5A2
SCHEMBL13603465 0.77 SRD5A2 (0.40) SRD5A1SRD5A2
SCHEMBL7616401 0.76 AR (0.58) SRD5A2

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
US-7625919-B2 4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-12-01 US disclosed