SCHEMBL8764680

SCHEMBL8764680

CCCCNC(=O)C1CC(=O)NC2CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]3[C@]21C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.35
G6PD P11413 1/20 0.35
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
AR P10275 1/20 0.34
SRD5A1 P18405 1/20 0.34
SRD5A2 P31213 1/20 0.34

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
SCHEMBL9647692 0.82 SRD5A2 (0.46) MBOAT4GRIN1GRIN2BARSRD5A1
SCHEMBL10582748 0.82 MBOAT4 (0.41) MBOAT4GRIN1GRIN2BARSRD5A1
SCHEMBL7609106 0.82 MBOAT4 (0.41) MBOAT4GRIN1GRIN2BARSRD5A1
SCHEMBL10485581 0.81 MBOAT4 (0.40) MBOAT4GRIN1GRIN2BSRD5A2
SCHEMBL8411683 0.81 SRD5A2 (0.39) SRD5A1SRD5A2
SCHEMBL9844548 0.79 SRD5A2 (0.40) MBOAT4GRIN1GRIN2BSRD5A2
SCHEMBL10485961 0.79 SRD5A2 (0.37) MBOAT4GRIN1GRIN2BARSRD5A1
SCHEMBL10485958 0.79 SRD5A2 (0.37) MBOAT4GRIN1GRIN2BARSRD5A1
SCHEMBL8764684 0.77 GRIN1 (0.38) G6PDGRIN1GRIN2B
SCHEMBL4731753 0.77 SRD5A2 (0.53) MBOAT4GRIN1GRIN2BSRD5A2

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-0786011-A1 A MICROBIOLOGICAL PROCESS FOR THE PREPARATION OF 17BETA-CARBOXY SUBSTITUTED 3-OXO-4-AZASTEROIDS AND THE USE OF SUCH PRODUCTS AS INHIBITORS OF THE ENZYME 5ALPHA-REDUCTASE POLI INDUSTRIA CHIMICA S.p.A. (IT) 1997-07-30 EP disclosed
WO-1996012034-A1 A MICROBIOLOGICAL PROCESS FOR THE PREPARATION OF 17BETA-CARBOXY SUBSTITUTED 3-OXO-4-AZASTEROIDS AND THE USE OF SUCH PRODUCTS AS INHIBITORS OF THE ENZYME 5ALPHA-REDUCTASE POLI INDUSTRIA CHIMICA S.P.A. (IT) 1996-04-25 WO disclosed