SCHEMBL1129580

SCHEMBL1129580

COc1ccc(CNc2cc(-c3ccc(C(C)C(=O)O)cc3)ncn2)cc1OC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 3/20 0.60
PDE4A P27815 10/20 0.44
PDE4B Q07343 4/20 0.43
PDE4C Q08493 4/20 0.43
PDE4D Q08499 4/20 0.43
KMO O15229 3/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL308500 0.88 TPH1 (0.78) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL309142 0.88 TPH1 (0.78) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL1129584 0.86 TPH1 (0.59) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL14967853 0.80 TPH1 (0.54) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL14967855 0.79 TPH1 (0.62) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL309631 0.76 TPH1 (0.51) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL307423 0.76 TPH1 (0.81) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL307424 0.76 TPH1 (0.81) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL307765 0.74 TPH1 (0.77) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL307766 0.74 TPH1 (0.77) TPH1PDE4APDE4BPDE4CPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2282756-A1 METHODS OF DIAGNOSING, PREVENTING AND TREATING BONE MASS DISEASES The Trustees of Columbia University in the City of New York (US) 2011-02-16 EP disclosed
WO-2009123978-A1 METHODS OF DIAGNOSING, PREVENTING AND TREATING BONE MASS DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-10-08 WO disclosed