SCHEMBL8071949

SCHEMBL8071949

CCCCCCCCCCCCCCCCCCNC(=O)NCC1CC[C@H]2[C@@H]3CCN4C(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.41
HSD17B7 P56937 1/20 0.35
SRD5A1 P18405 4/20 0.35
LIPA P38571 1/20 0.35

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
SCHEMBL9239824 0.93 G6PD (0.37) G6PDSRD5A1
SCHEMBL8724887 0.86 G6PD (0.32) G6PD
SCHEMBL8071938 0.84 SRD5A2 (0.37) SRD5A1
SCHEMBL8063891 0.84 SRD5A2 (0.36)
SCHEMBL9113667 0.81 SRD5A1 (0.42) SRD5A1
SCHEMBL8525513 0.81 LMNA (0.36)
SCHEMBL9572349 0.80 SMN1; SMN2 (0.36)
SCHEMBL8078855 0.78 HSD17B7 (0.59) HSD17B7SRD5A1
SCHEMBL8064026 0.78 HSD17B7 (0.59) HSD17B7SRD5A1
SCHEMBL8071947 0.78 HSD17B7 (0.59) HSD17B7SRD5A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641208-B1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 2000-08-02 EP claimed
EP-0641208-A4 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-08-30 EP claimed
EP-0641208-A1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-03-08 EP claimed
US-5710275-A ENZYME AND HORMONE INHIBITORS MERCK & CO., INC. (US) 1998-01-20 US disclosed
EP-0778284-A2 New 7-beta-substituted-4-aza-5alpha-androstan-3-ones as 5alpha-reductase inhibitors MERCK & CO. INC. (US) 1997-06-11 EP disclosed
EP-0641208-A4 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-08-30 EP disclosed
EP-0641208-A1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-03-08 EP disclosed
EP-0572166-A1 New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP disclosed