SCHEMBL5773718

SCHEMBL5773718

Cc1nc(O)c2[nH]c(-c3ccc(OC(F)(F)F)cc3)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 14/20 0.46
SCN10A Q9Y5Y9 6/20 0.41
KCNH2 Q12809 3/20 0.41
SCN1A P35498 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN8A Q9UQD0 1/20 0.41

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
SCHEMBL5776833 0.85 NPY5R (0.47) NPY5RSCN10AKCNH2SCN1ASCN5A
SCHEMBL5773825 0.84 NPY5R (0.61) NPY5R
SCHEMBL5774511 0.81 NPY5R (0.60) NPY5R
SCHEMBL5770751 0.81 NPY5R (0.58) NPY5R
SCHEMBL5773389 0.79 NPY5R (0.50) NPY5R
SCHEMBL5773103 0.78 NPY5R (0.77) NPY5R
SCHEMBL5773995 0.78 NPY5R (0.68) NPY5R
Hydrochloric Acid SCHEMBL5772737 0.77 NPY5R (0.74) NPY5R
SCHEMBL5774435 0.76 NPY5R (0.48) NPY5RSCN2A
SCHEMBL5775579 0.74 NPY5R (0.45) 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 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