SCHEMBL2800566

SCHEMBL2800566

CC1CCc2sc3c(N4CCCNCC4)ncnc3c2C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NOD2 Q9HC29 1/20 0.48
HTR2C P28335 2/20 0.45
DRD2 P14416 1/20 0.45
TSHR P16473 3/20 0.44
NPC1 O15118 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADRB1 P08588 2/20 0.43
GUSB P08236 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.41
CHRM4 P08173 2/20 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
SCHEMBL2803722 0.87 HTR2C (0.43) KMT2AMEN1NOD2HTR2CDRD2
SCHEMBL605086 0.83 ADRB1 (0.49) KMT2AMEN1NOD2HTR2CNPC1
Hydrochloric Acid SCHEMBL4131516 0.82 ADRB1 (0.48) KMT2AMEN1NOD2HTR2CNPC1
SCHEMBL605467 0.79 DRD2 (0.64) KMT2AMEN1HTR2CDRD2TSHR
SCHEMBL604631 0.78 ADRB1 (0.50) KMT2AMEN1NOD2HTR2CNPC1
Hydrochloric Acid SCHEMBL4131473 0.77 ADRB1 (0.49) KMT2AMEN1NOD2HTR2CNPC1
SCHEMBL2803724 0.77 KDM4E (0.45) KMT2AHTR2CDRD2TSHRNPSR1
SCHEMBL604727 0.71 ADRB1 (0.46) HTR2CADRB1GUSB
Hydrochloric Acid SCHEMBL4130738 0.71 ADRB1 (0.45) HTR2CADRB1GUSB
SCHEMBL603888 0.69 ADRB1 (0.44) HTR2CADRB1GUSB

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