SCHEMBL5771479

SCHEMBL5771479

Clc1nc(-c2ccccc2)nc2cc(-c3ccccc3)[nH]c12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 16/20 0.57
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
CCNB2 O95067 2/20 0.46
CDK1 P06493 2/20 0.46
CCNB1 P14635 2/20 0.46
CDK5 Q00535 2/20 0.46
CDK5R1 Q15078 2/20 0.46
CCNB3 Q8WWL7 2/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
LMNA P02545 1/20 0.44

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
SCHEMBL5776765 0.85 NPY5R (0.51) NPY5RMEN1KMT2ACCNB2CDK1
SCHEMBL5772401 0.84 NPY5R (0.70) NPY5R
SCHEMBL5774883 0.81 NPY5R (0.57) NPY5RCCNB2CDK1CCNB1CDK5
SCHEMBL5774044 0.79 NPY5R (0.60) NPY5RCCNB2CDK1CCNB1CDK5
SCHEMBL5772102 0.79 NPY5R (0.60) NPY5RMEN1KMT2ACCNB2CDK1
SCHEMBL5773128 0.79 NPY5R (0.60) NPY5RCCNB2CDK1CCNB1CDK5
SCHEMBL5774215 0.78 NPY5R (0.62) NPY5R
SCHEMBL5773508 0.77 NPY5R (0.62) NPY5R
SCHEMBL5776331 0.76 NPY5R (0.63) NPY5R
SCHEMBL3567059 0.75 NPY5R (0.56) NPY5RMEN1KMT2ACCNB2CDK1

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 5 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
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed