SCHEMBL5771952

SCHEMBL5771952

Cc1nc(N2CCCC(CO)C2)c2nc(-c3ccccc3)cc-2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
IRAK1 P51617 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SYK P43405 6/20 0.42
KHK P50053 1/20 0.41
PDE10A Q9Y233 1/20 0.40
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.38
NPY5R Q15761 3/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
PTGER4 P35408 1/20 0.37

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
SCHEMBL7963644 0.87 KDM4E (0.46) KMT2APOLBALDH1A1SYKNPY5R
Hydrochloric Acid SCHEMBL5798034 0.85 KDM4E (0.45) KMT2APOLBALDH1A1SYKNPY5R
SCHEMBL5773349 0.83 NPY5R (0.52) KMT2ANPY5R
SCHEMBL5771896 0.83 NPY5R (0.52) KMT2ANPY5R
SCHEMBL5775242 0.82 NPY5R (0.49) KMT2APOLBIRAK1ALDH1A1SYK
SCHEMBL5772713 0.82 NPY5R (0.48) SYKPDE10ANPY5R
SCHEMBL5773681 0.81 NPY5R (0.54) KMT2ANPY5R
SCHEMBL5774353 0.81 IRAK1 (0.52) KMT2APOLBHTTIRAK1ALDH1A1
Hydrochloric Acid SCHEMBL5776807 0.81 NPY5R (0.50) KMT2ANPY5R
Hydrochloric Acid SCHEMBL5777287 0.81 NPY5R (0.50) KMT2ANPY5R

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 7 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 claimed
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 claimed
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