SCHEMBL4753514

SCHEMBL4753514

O=C(c1ncn(C2CCCC2)c1-c1ccccc1)N1[CH]CN(Cc2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
HRH1 P35367 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
DRD2 P14416 7/20 0.38
DRD4 P21917 7/20 0.38
DRD3 P35462 7/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.36
MAPK14 Q16539 1/20 0.36
CHRM4 P08173 1/20 0.36
EGFR P00533 1/20 0.36
LMNA P02545 1/20 0.36
MIF P14174 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL4291124 0.77 CYP2D6 (0.37) ADRA2CADRA1DHRH1SLC6A3TMEM97
SCHEMBL3493839 0.74 EGFR (0.48) DRD2DRD4DRD3KDM4EMEN1
SCHEMBL3494237 0.73 DRD4 (0.48) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL4294331 0.71 CA1 (0.48) SLC6A3
SCHEMBL4281780 0.70 CA1 (0.42)
SCHEMBL4293107 0.70 CA1 (0.48) SLC6A3
SCHEMBL4293038 0.70 CA1 (0.48) SLC6A3
SCHEMBL3495249 0.70 JAK2 (0.46) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL3491368 0.70 JAK2 (0.46) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL3493634 0.70 JAK2 (0.46) DRD2DRD4DRD3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed