SCHEMBL8900618

SCHEMBL8900618

CC(C)(C)OC(=O)NC[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 11/20 0.78
ACACB O00763 9/20 0.56
ACACA Q13085 6/20 0.56

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
SCHEMBL8901648 1.00 NPY5R (0.78) NPY5RACACBACACA
SCHEMBL8898805 0.94 NPY5R (0.67) NPY5RACACBACACA
SCHEMBL8897600 0.94 NPY5R (0.67) NPY5RACACBACACA
Hydrochloric Acid SCHEMBL8897597 0.93 NPY5R (0.66) NPY5RACACBACACA
Hydrochloric Acid SCHEMBL8897592 0.93 NPY5R (0.66) NPY5RACACBACACA
SCHEMBL8891621 0.88 NPY5R (1.00) NPY5R
SCHEMBL8891244 0.85 NPY5R (1.00) NPY5R
SCHEMBL13793110 0.84 ACACB (0.61) NPY5RACACBACACA
SCHEMBL8892081 0.83 NPY5R (0.76) NPY5RACACBACACA
SCHEMBL8890766 0.81 NPY5R (0.72) NPY5R

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
US-5679357-A COSMETIC COMPOSITION FOR TREATING SKIN OR HAIR; CONTAINS A CATIONIC SURFACE-ACTIVE AGENT L'OREAL (FR) 1997-10-21 US disclosed
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed