SCHEMBL5777611

SCHEMBL5777611

CNCCN(C)c1nc(C)nc2cc(-c3ccccc3)[nH]c12

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 20/20 0.63

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
SCHEMBL5777860 0.78 NPY5R (1.00) NPY5R
SCHEMBL5773457 0.76 NPY5R (1.00) NPY5R
SCHEMBL5776188 0.73 NPY5R (0.61) NPY5R
SCHEMBL5775599 0.72 NPY5R (0.72) NPY5R
SCHEMBL5774226 0.71 NPY5R (0.77) NPY5R
SCHEMBL5772401 0.71 NPY5R (0.70) NPY5R
SCHEMBL5775432 0.70 NPY5R (0.78) NPY5R
SCHEMBL5773995 0.70 NPY5R (0.68) NPY5R
SCHEMBL5771755 0.70 NPY5R (1.00) NPY5R
SCHEMBL5777606 0.70 ABCB1 (0.39)

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-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed