SCHEMBL2803130

SCHEMBL2803130

FC(F)(F)C1CCc2oc3c(N4CCNCC4)ncnc3c2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
DRD2 P14416 1/20 0.37
HTR2C P28335 6/20 0.36
ABCC1 P33527 1/20 0.36
HRH4 Q9H3N8 7/20 0.36
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HCRTR1 O43613 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL602852 0.81 HRH4 (0.49) HTR2CHRH4
Hydrochloric Acid SCHEMBL4131344 0.81 HRH4 (0.48) HTR2CHRH4
SCHEMBL604759 0.77 KMT2A (0.56) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL11922350 0.70 HRH4 (0.40) HRH4
SCHEMBL2802043 0.70 POLB (0.46) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL602734 0.68 HRH4 (0.49) HRH4
SCHEMBL9884259 0.65 HRH4 (0.52) HRH4
SCHEMBL604930 0.65 HRH4 (0.52) HRH4
SCHEMBL603274 0.65 HRH4 (0.52) HRH4
Hydrochloric Acid SCHEMBL4135814 0.65 HRH4 (0.51) HRH4

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-2200595-A2 THIENO-AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2010-06-30 EP claimed
WO-2009038673-A2 THIENO-AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-26 WO claimed