SCHEMBL8565529

SCHEMBL8565529

Cc1ncc(Cn2c(CC3CCN(CCNc4ncccn4)CC3)nc3ccccc32)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
HRH1 P35367 1/20 0.37
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
GRM2 Q14416 3/20 0.37
DRD4 P21917 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC6A9 P48067 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
ALPL P05186 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8562045 0.86 PRMT3 (0.41) DRD2DRD3GRM2DRD4KDM4E
SCHEMBL9536155 0.85 USP2 (0.42) GRIN2BMKNK1HRH1NPSR1TDP1
SCHEMBL9538238 0.84 MEN1 (0.49) GRIN2BGRM2NPSR1TDP1ALDH1A1
SCHEMBL8565760 0.83 MEN1 (0.48) DRD2DRD3GRM2DRD4ALDH1A1
SCHEMBL9537145 0.82 SLC6A9 (0.53) GRIN2BMKNK1HRH1NPSR1TDP1
SCHEMBL8568859 0.81 DRD2 (0.37) DRD2DRD3GRM2DRD4ALDH1A1
SCHEMBL9536807 0.81 SSTR5 (0.50) HRH1DRD2DRD3DRD4KCNH2
SCHEMBL9539219 0.79 HRH1 (0.42) GRIN2BMKNK1HRH1DRD2DRD3
SCHEMBL9538985 0.77 GRIN2B (0.45) GRIN2BMKNK1DRD2DRD3GRM2
SCHEMBL9538639 0.77 SSTR5 (0.48) HRH1DRD2DRD3DRD4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539421-B1 NOVEL OXAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1998-09-23 EP disclosed
US-5278165-A Oxazolyl imidazol[4,5-b]pyridin and pyrimidine compounds JANSSEN PHARMACEUTICA N.V. (BE) 1994-01-11 US disclosed
US-5217980-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1993-06-08 US disclosed
WO-1992001687-A1 NOVEL OXAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-06 WO disclosed