SCHEMBL5774053

SCHEMBL5774053

Fc1ccc(-c2cc3nc(C4CC4)nc(Cl)c3[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.48
CCNB2 O95067 2/20 0.43
CDK1 P06493 2/20 0.43
CCNB1 P14635 2/20 0.43
CCNB3 Q8WWL7 2/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
HTR2A P28223 4/20 0.38
HTR2C P28335 4/20 0.38
HTR2B P41595 4/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
KIT P10721 3/20 0.36
GCGR P47871 1/20 0.35
MAPK14 Q16539 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34

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
SCHEMBL5774215 0.86 NPY5R (0.62) NPY5R
SCHEMBL5777897 0.84 NPY5R (0.48) NPY5RCCNB2CDK1CCNB1CCNB3
SCHEMBL5775286 0.78 NPY5R (0.79) NPY5R
SCHEMBL5772070 0.78 NPY5R (0.60) NPY5RCCNB2CDK1CCNB1CCNB3
Hydrochloric Acid SCHEMBL7189581 0.77 NPY5R (0.76) NPY5R
SCHEMBL5772302 0.70 NPY5R (0.62) NPY5R
SCHEMBL5773917 0.70 NPY5R (0.50) NPY5RCCNB2CDK1CCNB1CCNB3
SCHEMBL5773530 0.66 NPY5R (0.58) NPY5RCCNB2CDK1CCNB1CCNB3
SCHEMBL5772704 0.66 NPY5R (0.56) NPY5RCCNB2CDK1CCNB1CCNB3
SCHEMBL5776765 0.65 NPY5R (0.51) NPY5RCCNB2CDK1CCNB1CCNB3

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