SCHEMBL8722387

SCHEMBL8722387

CC1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CCC4(CNC(=O)Nc4ccccc4)C4=CC(=O)C(C)N5CC[C@@H]6[C@@H](CC[C@]7(C)C(CNC(=O)Nc8ccccc8)CC[C@@H]67)[C@@]45C)[C@@H]3CCN12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.33
SRD5A2 P31213 3/20 0.33
AR P10275 1/20 0.33
BRD4 O60885 1/20 0.30

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
SCHEMBL9113667 0.87 SRD5A1 (0.42) SRD5A1SRD5A2ARBRD4
SCHEMBL8724887 0.87 G6PD (0.32)
SCHEMBL8927050 0.83
SCHEMBL9112123 0.74 SRD5A1 (0.40) SRD5A1SRD5A2ARBRD4
SCHEMBL8726908 0.74 SRD5A1 (0.43) SRD5A1SRD5A2AR
SCHEMBL8726903 0.74 SRD5A1 (0.43) SRD5A1SRD5A2AR
SCHEMBL8063891 0.73 SRD5A2 (0.36) SRD5A2
SCHEMBL9239824 0.73 G6PD (0.37) SRD5A1SRD5A2
SCHEMBL8071938 0.73 SRD5A2 (0.37) SRD5A1SRD5A2
SCHEMBL9572349 0.72 SMN1; SMN2 (0.36)

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-5710275-A ENZYME AND HORMONE INHIBITORS MERCK & CO., INC. (US) 1998-01-20 US disclosed