SCHEMBL2801485

SCHEMBL2801485

CC1(C)CCCc2c1oc1c(N3CCCNCC3)ncnc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 2/20 0.41
DRD2 P14416 1/20 0.41
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2C P28335 4/20 0.38
HRH4 Q9H3N8 4/20 0.37
CHRM4 P08173 2/20 0.36
ABCC1 P33527 1/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.33
ENPP1 P22413 1/20 0.33

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
SCHEMBL604058 0.82 HRH4 (0.49) HTR2CHRH4
Hydrochloric Acid SCHEMBL4119844 0.81 HRH4 (0.48) HTR2CHRH4
SCHEMBL602464 0.78 HRH4 (0.48) HTR2CHRH4
Hydrochloric Acid SCHEMBL4118815 0.77 HRH4 (0.47) HTR2CHRH4
SCHEMBL604759 0.76 KMT2A (0.56) POLBKMT2AALDH1A1MEN1LMNA
SCHEMBL2802043 0.76 POLB (0.46) POLBKMT2AALDH1A1MEN1LMNA
SCHEMBL3236752 0.65 HRH4 (0.45) HTR2CHRH4
SCHEMBL604463 0.65 HRH4 (0.47) HRH4
SCHEMBL601964 0.64 KMT2A (0.57) POLBKMT2AALDH1A1MEN1LMNA
SCHEMBL2803130 0.64 KMT2A (0.42) POLBKMT2AALDH1A1MEN1LMNA

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