SCHEMBL9543826

SCHEMBL9543826

COC(=O)CN(C(=O)OC(C)(C)C)C1CCc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.42
HTR1A P08908 1/20 0.42
MC4R P32245 3/20 0.40
MC5R P33032 3/20 0.40
MC3R P41968 2/20 0.40
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
PRMT5 O14744 1/20 0.38
DRD2 P14416 2/20 0.38

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
SCHEMBL9543829 1.00 NPY5R (0.42) NPY5RHTR1AMC4RMC5RMC3R
SCHEMBL13209063 0.80 NPY5R (0.53) NPY5RHTR1AMTNR1AMTNR1BPRMT5
SCHEMBL1369330 0.79 REN (0.35)
SCHEMBL6681845 0.78 HSD11B1 (0.39) NPY5R
SCHEMBL7025316 0.76 EPHX2 (0.36)
SCHEMBL3525420 0.75 EPHX2 (0.39)
Hydrochloric Acid SCHEMBL8480640 0.74 OPRM1 (0.52) DRD2
SCHEMBL5286055 0.74 NPY5R (0.41) NPY5RHTR1AMTNR1AMTNR1BDRD2
SCHEMBL8484522 0.73 SLC6A4 (0.36)
SCHEMBL6360022 0.73 REN (0.32)

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
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed