SCHEMBL6445820

SCHEMBL6445820

CN(C)C(=O)CC1CC(=O)N[C@@H]2CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]3[C@@]12C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.38
SRD5A1 P18405 1/20 0.36
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
SRD5A2 P31213 1/20 0.35
CYP19A1 P11511 3/20 0.34
NR1I3 Q14994 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
SCHEMBL7609106 0.79 MBOAT4 (0.41) MBOAT4SRD5A1GRIN1GRIN2BSRD5A2
SCHEMBL10582748 0.79 MBOAT4 (0.41) MBOAT4SRD5A1GRIN1GRIN2BSRD5A2
SCHEMBL8411683 0.78 SRD5A2 (0.39) SRD5A1SRD5A2
SCHEMBL10485581 0.78 MBOAT4 (0.40) MBOAT4GRIN1GRIN2BSRD5A2CYP19A1
SCHEMBL4731753 0.77 SRD5A2 (0.53) MBOAT4GRIN1GRIN2BSRD5A2NR1I3
SCHEMBL9844548 0.77 SRD5A2 (0.40) MBOAT4GRIN1GRIN2BSRD5A2CYP19A1
SCHEMBL6445823 0.76 GRIN1 (0.39) MBOAT4SRD5A1GRIN1GRIN2BSRD5A2
SCHEMBL8710573 0.76 MBOAT4 (0.40) MBOAT4GRIN1GRIN2BCYP19A1NR1I3
SCHEMBL8712724 0.75 MBOAT4 (0.41) MBOAT4SRD5A1GRIN1GRIN2BCYP19A1
SCHEMBL9647692 0.74 SRD5A2 (0.46) MBOAT4SRD5A1GRIN1GRIN2BSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313479-A4 HAIR LOSS PREVENTION KNOWLES W ROY (US) 2005-09-21 EP disclosed
EP-1313479-A1 HAIR LOSS PREVENTION Knowles, W. Roy (US) 2003-05-28 EP disclosed
WO-2002007728-A1 HAIR LOSS PREVENTION KNOWLES W ROY (US) 2002-01-31 WO disclosed