SCHEMBL8894380

SCHEMBL8894380

C[C@]12CCC3C(CC[C@@H]4NC(=O)C(c5ccccn5)C[C@]34C)C1CC[C@@H]2C(=O)S

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 12/20 0.46
SRD5A2 P31213 8/20 0.46
AR P10275 1/20 0.46

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
SCHEMBL7755258 1.00 SRD5A1 (0.46) SRD5A1SRD5A2AR
SCHEMBL8794480 0.77 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL8005705 0.77 LMNA (0.48) AR
SCHEMBL7756411 0.77 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL8016699 0.72 SRD5A1 (0.49) SRD5A1SRD5A2AR
SCHEMBL8573691 0.69 SRD5A2 (0.74) SRD5A1SRD5A2
SCHEMBL8158262 0.69 SRD5A1 (0.66) SRD5A1SRD5A2
SCHEMBL7622722 0.69 SRD5A2 (0.61) SRD5A1SRD5A2AR
SCHEMBL8158267 0.69 SRD5A1 (0.66) SRD5A1SRD5A2
SCHEMBL7142783 0.69 SRD5A2 (0.61) SRD5A1SRD5A2AR

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-5693810-A ENZYME INHIBITORS OF TESTOSTERONE-5ALPHA-REDUCTASE TO PREVENT OR LESSEN SYMPTOMS OF DIHYDROTESTOSTERONE-RELATED HYPERANDROGENIC CONDITIONS, E.G. PROSTATE PROBLEMS, SKIN DISORDERS MERCK & CO., INC. (US) 1997-12-02 US disclosed