SCHEMBL8897600

SCHEMBL8897600

CC(C)(C)OC(=O)NCC1CCC(Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 10/20 0.67
ACACB O00763 10/20 0.56
ACACA Q13085 7/20 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
SCHEMBL8898805 1.00 NPY5R (0.67) NPY5RACACBACACA
Hydrochloric Acid SCHEMBL8897597 0.99 NPY5R (0.66) NPY5RACACBACACA
Hydrochloric Acid SCHEMBL8897592 0.99 NPY5R (0.66) NPY5RACACBACACA
SCHEMBL8901648 0.94 NPY5R (0.78) NPY5RACACBACACA
SCHEMBL8900618 0.94 NPY5R (0.78) NPY5RACACBACACA
SCHEMBL13793110 0.88 ACACB (0.61) NPY5RACACBACACA
SCHEMBL8889701 0.84 NPY5R (0.68) NPY5R
SCHEMBL3943120 0.84 MCHR1 (0.61) NPY5RACACBACACA
SCHEMBL3943125 0.84 MCHR1 (0.61) NPY5RACACBACACA
SCHEMBL31206152 0.81 DRD2 (0.55) ACACBACACA

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
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO claimed
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed