SCHEMBL2803724

SCHEMBL2803724

FC1(F)CCc2sc3c(N4CCCNCC4)ncnc3c2C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
HTR2C P28335 2/20 0.45
DRD2 P14416 1/20 0.45
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADRB1 P08588 1/20 0.40
PRKCI P41743 4/20 0.36
CHRM4 P08173 2/20 0.35
ABCC1 P33527 1/20 0.35
MAPT P10636 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
SCHEMBL605479 0.82 ADRB1 (0.46) HTR2CADRB1PRKCI
SCHEMBL2852750 0.81 ALDH1A1 (0.33) KDM4EALDH1A1POLBHTR2CDRD2
SCHEMBL605467 0.79 DRD2 (0.64) KDM4EALDH1A1POLBHTR2CDRD2
SCHEMBL2802043 0.77 POLB (0.46) KDM4EALDH1A1POLBHTR2CDRD2
SCHEMBL2800451 0.77 ADRB1 (0.47) HTR2CADRB1
SCHEMBL2800566 0.77 KMT2A (0.48) KDM4EALDH1A1POLBHTR2CDRD2
Trifluoroacetic Acid SCHEMBL4126873 0.75 ADRB1 (0.40) ADRB1PRKCI
SCHEMBL2803722 0.74 HTR2C (0.43) KDM4EALDH1A1POLBHTR2CDRD2
SCHEMBL9884156 0.71 ADRB1 (0.37) ADRB1
Trifluoroacetic Acid SCHEMBL9105391 0.70 ADRB1 (0.40) ADRB1

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