Dutasteride

Dutasteride

SCHEMBL4775587

C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12.C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SRD5A1SRD5A2SRD5A3

The experimentally established mechanism targets of Dutasteride. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRD5A1 known ✓ P18405 19/20 1.00
SRD5A2 known ✓ P31213 8/20 1.00
LMNA P02545 1/20 1.00
ABCB11 O95342 1/20 1.00
GLRA1 P23415 1/20 1.00
KEAP1 Q14145 1/20 1.00
NFE2L2 Q16236 1/20 1.00

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
Dutasteride SCHEMBL1832772 1.00 SRD5A1 (1.00) SRD5A1SRD5A2LMNAABCB11GLRA1
Dutasteride SCHEMBL1285958 1.00 SRD5A1 (1.00) SRD5A1SRD5A2LMNAABCB11GLRA1
Dutasteride SCHEMBL9975973 1.00 SRD5A1 (1.00) SRD5A1SRD5A2LMNAABCB11GLRA1
Dutasteride SCHEMBL5903 1.00 SRD5A1 (1.00) SRD5A1SRD5A2LMNAABCB11GLRA1
Dutasteride SCHEMBL1108295 1.00 SRD5A1 (1.00) SRD5A1SRD5A2LMNAABCB11GLRA1
Dutasteride SCHEMBL13495828 1.00 SRD5A1 (1.00) SRD5A1SRD5A2LMNAABCB11GLRA1
Dutasteride SCHEMBL997007 1.00 SRD5A1 (1.00) SRD5A1SRD5A2LMNAABCB11GLRA1
Dutasteride SCHEMBL10028296 1.00 SRD5A1 (1.00) SRD5A1SRD5A2LMNAABCB11GLRA1
Dutasteride SCHEMBL12194984 1.00 SRD5A1 (1.00) SRD5A1SRD5A2LMNAABCB11GLRA1
Dutasteride SCHEMBL20776136 1.00 SRD5A1 (1.00) SRD5A1SRD5A2LMNAABCB11GLRA1

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-1901727-A2 METHODS FOR THE TREATMENT OF SUBSTANCE ABUSE AND DEPENDENCE Hythiam, Inc. (US) 2008-03-26 EP disclosed
WO-2006110557-A2 METHODS FOR THE TREATMENT OF SUBSTANCE ABUSE AND DEPENDENCE HYTHIAM, INC. (US) 2006-10-19 WO disclosed